data_2yuh_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 2yuh _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -143.77 122.45 12.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.7 p -146.16 174.64 11.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.1 m120 61.09 39.98 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 mt -126.9 153.73 45.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -147.14 129.26 15.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.96 37.05 21.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -114.74 165.14 13.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.4 t -124.2 136.69 59.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.7 mt -131.39 150.14 52.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -150.53 117.73 5.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -118.74 143.48 46.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.15 179.93 4.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.03 -43.72 91.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.036 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 m -62.2 -33.64 74.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -72.63 -59.35 2.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mt -63.07 -66.66 0.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.846 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 59.7 52.54 5.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 60.61 81.29 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -144.47 158.48 43.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -82.23 122.61 28.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.824 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.87 125.84 48.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.13 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 tp -113.27 112.95 24.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.6 mt -127.48 105.28 8.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.3 t -145.4 164.31 31.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 59.87 31.38 20.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.0 mt -105.88 170.86 7.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 m -169.95 123.27 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 61.3 30.31 19.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.803 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.4 t -107.79 125.55 51.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.99 130.86 44.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.6 t -131.06 115.34 29.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -107.49 101.74 11.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.959 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.4 mt -92.9 160.11 15.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -156.32 107.91 2.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 159.63 -120.1 0.94 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.555 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -169.21 82.3 0.67 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.721 0.296 . . . . 0.0 110.94 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.54 168.36 22.81 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.57 2.18 . . . . 0.0 112.277 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -77.56 -59.48 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.8 m -143.59 121.4 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.4 tp -92.83 145.54 24.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -145.97 124.24 12.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.946 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.7 tp -134.07 106.12 7.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.6 p -131.27 157.78 42.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 60.0 35.84 21.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.93 156.97 16.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.065 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -160.41 119.39 2.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 61.6 m 60.8 32.9 20.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 29.6 m -112.62 157.44 21.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.978 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -123.35 135.98 54.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.3 tp -128.97 125.4 37.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.953 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.413 ' HB3' ' CZ2' ' A' ' 121' ' ' TRP . 2.0 mt -133.6 110.12 9.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 44.5 t -144.73 152.3 40.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.011 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.2 -179.86 2.24 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.449 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.98 114.77 2.23 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.562 2.175 . . . . 0.0 112.153 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.5 p -57.59 158.48 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.3 t -72.38 -51.7 19.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 p -102.71 -79.04 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.963 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -163.97 179.92 6.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.826 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.4 t -126.47 158.99 36.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.008 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -128.01 151.47 49.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.966 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.0 tp -145.2 130.25 18.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 62.5 tt0 -157.53 141.13 15.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 61.67 36.65 16.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 92.8 m -111.33 143.5 42.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.7 t -153.25 134.98 14.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 60.95 37.98 17.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.018 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 59.7 m -117.28 165.94 12.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.23 100.19 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.17 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 tp -95.94 116.05 28.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.83 97.38 5.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.2 p -165.45 122.12 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.33 138.74 40.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 13.2 p -151.02 176.29 11.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -85.92 -31.09 22.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -147.98 135.21 20.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 26.8 tp -116.48 125.35 51.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -115.29 118.57 33.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.5 mt -120.96 158.45 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -168.3 133.62 1.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.78 35.2 19.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 63.6 m -107.92 149.15 28.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.4 pttt -157.57 134.43 10.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.949 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 59.01 31.11 21.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.8 m -111.62 101.65 10.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -67.6 136.49 54.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.725 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 18.5 mt -136.04 102.53 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.444 ' CD2' ' CB ' ' A' ' 117' ' ' ALA . 45.4 m-85 -97.08 107.42 19.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -151.2 -179.98 7.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -128.41 91.78 3.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 10.0 m -76.66 124.7 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.173 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.1 p -83.21 -33.01 26.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.39 -74.26 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.03 171.76 2.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.817 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -121.19 154.9 35.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.087 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.474 HG22 HD11 ' A' ' 107' ' ' ILE . 27.7 mm -124.46 137.83 55.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.4 m -135.83 143.39 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -150.43 127.02 10.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.13 37.23 20.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 60.3 m -115.86 150.58 36.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.0 m -148.0 132.16 17.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.2 29.07 51.85 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.462 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 23.7 mm -82.51 153.43 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.733 0.301 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -128.64 136.39 50.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -125.61 105.89 9.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.444 ' CB ' ' CD2' ' A' ' 99' ' ' PHE . . . -121.53 149.4 52.53 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.171 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.03 164.35 1.71 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.59 2.194 . . . . 0.0 112.327 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -86.57 106.56 17.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.822 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.4 t -120.65 106.78 12.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.413 ' CZ2' ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -158.64 124.94 4.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 35.6 m -104.97 154.44 20.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.427 ' CG ' ' HD2' ' A' ' 124' ' ' PRO . 0.3 OUTLIER -176.97 151.8 0.98 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 123' ' ' TYR . 66.2 Cg_exo -51.27 -26.87 21.47 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.624 2.216 . . . . 0.0 112.362 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -131.84 53.13 2.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 4.3 tp -95.97 -39.35 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.083 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.53 -38.95 71.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -68.76 -29.97 68.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -59.09 -44.87 91.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -61.66 -31.11 71.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -63.5 -34.35 77.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.0 m -60.19 -69.92 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -31.11 69.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.953 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 86.75 28.17 27.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.561 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 46.8 mt -84.11 157.79 21.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.787 0.327 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.36 132.2 35.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 5.8 ttt-85 -97.97 33.99 2.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.94 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 23.1 t -143.89 -70.28 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -63.44 123.55 19.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -163.11 127.21 2.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.01 74.98 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 43.3 p-90 -84.43 -29.18 26.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -68.3 -31.88 71.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.792 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.88 119.94 31.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.27 155.98 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.181 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.18 130.4 45.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.964 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -109.02 163.58 13.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.984 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 21.4 m . . . . . 0 CA--C 1.529 0.17 0 CA-C-O 120.509 0.195 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -72.68 61.7 3.68 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.362 2.042 . . . . 0.0 112.348 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -107.62 -58.66 1.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.977 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 34.8 p-90 -103.87 154.83 19.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 42.6 t -148.27 178.84 8.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 27.4 mm -115.55 152.89 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 10.3 tp -96.93 138.42 21.31 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.94 179.87 2.99 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.481 2.121 . . . . 0.0 112.264 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -96.38 41.82 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -122.6 -42.17 2.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -102.65 29.72 5.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.006 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 40.2 mmm-85 -78.39 -31.54 48.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -95.88 109.81 22.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.816 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 3.8 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 -179.935 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.402 ' CD2' HD21 ' A' ' 21' ' ' LEU . 38.1 m-85 -109.75 134.97 51.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.351 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 72.2 m -154.11 172.22 17.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 60.99 34.77 19.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 mp -118.94 145.11 46.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -138.34 132.65 31.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.3 t 60.07 35.95 21.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -119.12 172.33 7.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.3 t -130.37 139.78 50.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.097 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.402 HD21 ' CD2' ' A' ' 13' ' ' PHE . 7.6 mt -130.44 142.83 50.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -146.09 151.89 38.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -147.05 148.7 31.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.3 tpp180 -105.32 174.7 5.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.69 -52.97 54.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 m -61.91 -32.92 73.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -66.24 -41.08 90.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.2 mt -86.08 -71.97 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 62.85 61.32 1.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.835 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 60.73 79.34 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -142.97 157.4 44.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -85.44 136.03 33.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -117.06 125.23 73.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.2 tp -115.36 124.04 50.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.03 111.74 10.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.98 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 t -147.03 166.22 27.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 59.99 38.91 20.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.0 mt -114.55 145.7 41.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -140.37 122.39 15.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 61.41 36.44 17.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.781 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.3 t -109.58 158.42 18.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.5 p -122.15 143.96 49.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 20.7 t -140.42 134.28 34.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.123 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 45.6 mtp180 -142.95 106.64 4.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.0 mt -97.31 159.92 14.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.81 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -142.07 127.12 18.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 129.84 -117.79 2.43 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.547 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -160.13 88.42 1.87 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.769 0.318 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -69.17 161.41 45.97 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.527 2.151 . . . . 0.0 112.298 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -76.6 -68.8 0.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.953 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.6 m -140.21 111.67 7.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 54.8 tp -77.3 153.04 34.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -153.3 114.26 4.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.6 tp -129.36 109.48 11.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.9 p -133.39 154.99 50.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.7 mttm 60.61 32.7 20.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.948 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.01 139.55 30.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.054 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 42.1 t-80 -141.03 120.41 13.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.6 m 58.87 30.06 19.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.037 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 67.1 m -106.74 155.82 19.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -119.78 143.59 47.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.5 tp -148.21 117.5 6.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.9 mp -133.47 112.29 11.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 5.9 p -139.76 170.24 16.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.949 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.61 -179.9 24.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.428 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.406 ' HG3' ' CD1' ' A' ' 130' ' ' PHE . 27.5 Cg_endo -62.43 128.22 23.05 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.521 2.147 . . . . 0.0 112.25 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.9 p -69.57 154.51 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.187 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.22 -49.27 65.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.57 -79.62 0.56 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.977 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 52.1 m -161.31 -179.99 7.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.08 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.4 t -124.52 159.27 30.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.125 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -127.83 159.49 34.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.962 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.9 tp -154.41 134.52 13.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -158.39 140.44 13.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.18 31.94 20.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.93 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 m -98.78 145.33 27.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 t -158.28 133.48 8.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 59.83 31.87 21.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.1 t -107.73 166.93 10.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -134.13 90.05 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.959 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.3 tt -93.75 114.77 27.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.954 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -116.14 97.28 5.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.9 p -156.33 126.51 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.07 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.35 139.87 41.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 30.7 p -158.93 171.91 19.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -82.13 -47.49 12.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.768 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -127.99 150.63 49.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.82 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 23.6 tp -126.09 143.27 51.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.95 112.6 12.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.3 mt -127.17 142.6 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -155.92 141.66 17.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.03 30.63 20.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.966 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.7 m -107.98 147.77 30.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.827 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -157.9 142.2 16.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.39 30.33 18.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.6 m -112.15 122.36 47.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.983 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 53.1 mtt180 -94.1 111.26 22.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.818 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 28.4 mt -106.42 127.67 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.405 ' CD2' ' HB3' ' A' ' 117' ' ' ALA . 65.0 m-85 -118.46 97.41 5.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -143.31 171.39 14.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -121.86 100.25 6.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 15.8 m -86.5 122.83 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.174 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 16.1 p -97.02 21.94 9.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.1 m -150.49 -71.22 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.82 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.3 ptt85 -178.11 168.97 1.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -131.84 147.01 52.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.092 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 31.2 mt -112.95 143.03 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.075 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 31.5 m -147.94 147.35 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -151.9 130.34 12.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 59.94 34.8 21.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 72.0 m -105.3 145.05 31.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.6 m -153.83 134.88 13.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.59 28.24 57.71 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.45 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 25.6 mm -92.8 154.5 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.822 0.344 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.1 119.76 26.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -109.15 118.01 35.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.405 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . . . -130.05 163.63 46.18 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.074 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.85 148.08 63.73 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.546 2.164 . . . . 0.0 112.315 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -68.61 131.82 45.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 32.6 p -141.14 106.29 4.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -152.43 86.76 1.29 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.76 117.12 14.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.974 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -155.54 141.72 13.03 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.48 -33.57 68.1 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.548 2.166 . . . . 0.0 112.322 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 40.0 mp0 -98.92 46.78 0.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.938 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 1.2 tp -99.87 -41.21 9.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.18 -25.25 65.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.061 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.1 mtmt -77.16 -31.18 55.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -76.38 -35.71 58.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.406 ' CD1' ' HG3' ' A' ' 66' ' ' PRO . 26.0 m-85 -80.92 -41.78 22.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.978 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -31.39 70.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.956 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.3 m -71.94 -38.09 69.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 89.9 p -71.87 -49.16 40.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 110.39 28.36 4.09 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.506 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 8.6 mt -93.16 154.91 17.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.348 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.74 126.84 50.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -98.87 31.17 3.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.22 30.76 5.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -129.52 -70.49 0.65 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 60.21 89.8 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -134.05 83.15 2.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 49.4 p-90 -107.07 -28.63 9.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -57.72 -31.23 66.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.972 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -75.4 108.39 8.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 28.1 t -125.72 147.37 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.83 134.68 47.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -126.43 157.48 38.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.712 0.291 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.27 83.38 0.99 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.536 2.157 . . . . 0.0 112.289 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -156.46 -55.2 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 41.7 p-90 -107.92 133.46 52.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.26 158.23 19.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 21.5 mt -98.39 141.65 15.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 12.8 tp -66.58 136.86 94.94 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -73.47 -167.68 0.39 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.449 2.099 . . . . 0.0 112.264 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -97.91 29.32 3.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -123.05 -40.91 2.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -97.27 28.97 3.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.073 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -86.24 -34.71 20.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.919 0.39 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -78.54 93.08 4.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 2.5 mt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.082 -179.899 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -144.18 143.95 31.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.808 0.337 . . . . 0.0 110.834 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 65.5 p -164.28 169.72 17.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.954 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 60.52 39.16 18.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.0 mt -128.51 143.33 50.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.971 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -145.33 139.74 27.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.947 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.5 t 60.09 38.04 20.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -122.81 169.03 11.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.8 t -123.49 108.63 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.9 mt -96.67 147.1 24.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.96 130.44 9.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -130.23 150.08 51.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 mtm-85 -110.87 174.2 5.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.45 -43.41 96.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 m -61.71 -32.21 72.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -74.39 -39.49 62.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.9 mt -72.07 -63.77 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 60.21 37.09 20.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 60.62 92.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.7 mtt180 -154.97 -178.16 7.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -99.52 121.07 40.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.96 127.37 48.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 tp -125.14 105.26 9.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 mt -113.72 129.21 56.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.9 t -151.62 165.18 35.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 61.09 37.28 17.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 85.3 mt -103.83 145.84 29.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.4 117.78 5.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 60.81 36.06 19.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 12.7 t -116.99 143.08 46.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.08 150.24 25.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.4 t -144.84 142.26 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.8 mtt-85 -142.48 105.67 4.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.6 mt -98.05 153.76 18.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -141.8 140.73 33.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 128.37 -112.94 1.51 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.513 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -171.27 82.75 0.5 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.667 0.27 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.6 154.21 68.65 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.56 2.173 . . . . 0.0 112.282 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.42 -51.76 12.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -149.82 127.81 11.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.1 tp -93.37 149.29 21.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.8 ttt85 -150.77 105.95 3.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.942 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.3 tp -122.13 131.79 54.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.796 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.2 p -146.68 164.88 31.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.068 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.8 mtmm 53.86 35.15 20.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.072 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.78 128.34 36.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.075 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -132.87 111.7 11.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.5 m 60.48 32.09 20.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 61.4 m -106.22 172.01 7.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -134.26 135.82 43.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.0 tp -133.45 109.16 9.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.408 HD23 ' CD1' ' A' ' 121' ' ' TRP . 6.9 mt -121.9 104.33 9.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.805 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 7.6 p -131.23 164.13 26.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.9 -179.94 12.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.463 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.28 115.69 3.47 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.628 2.219 . . . . 0.0 112.284 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.4 p -61.27 158.67 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.182 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.7 t -71.37 -52.43 18.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.52 -80.54 0.47 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.6 m -165.03 179.92 6.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.861 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.7 t -116.62 159.01 16.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.018 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -139.35 104.49 4.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.985 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.4 tp -100.7 132.49 46.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.74 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -149.72 142.42 24.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.15 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 63.24 32.76 14.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 17.7 m -107.01 134.96 49.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.889 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 p -142.5 132.84 24.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.013 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 59.74 39.11 21.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.9 t -117.51 162.94 17.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.22 93.12 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.5 tp -90.96 130.03 36.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -131.02 107.72 9.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.973 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.7 p -164.34 122.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.51 126.16 29.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 15.0 p -146.1 171.54 14.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.939 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -82.02 -31.1 31.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -146.25 163.39 35.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 32.2 tp -143.52 124.8 14.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 38.5 ttt-85 -122.63 101.99 7.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.987 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 2.6 mp -96.33 159.26 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -161.36 133.36 5.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.967 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.8 m 60.01 35.16 21.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.042 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 67.8 m -112.45 140.8 46.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.27 135.52 22.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.001 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 54.73 39.98 31.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.9 m -114.4 115.32 27.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.081 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.4 mtt85 -75.69 137.04 40.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.731 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 16.4 mt -140.84 108.85 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.19 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.406 ' CD2' ' HB1' ' A' ' 117' ' ' ALA . 48.7 m-85 -102.25 101.19 11.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -138.74 165.91 25.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.968 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -113.55 89.94 3.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.706 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.4 m -80.71 120.67 32.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 82.7 p -87.75 -30.34 20.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.34 -72.37 0.63 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.818 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -178.58 162.03 1.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -115.2 152.62 32.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.039 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 4.6 mt -126.66 153.38 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 6.8 m -142.54 120.17 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.023 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.52 120.8 36.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.99 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.97 30.93 20.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.974 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 14.4 m -100.61 162.71 12.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.11 123.53 1.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.979 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.12 28.14 50.42 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.565 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 26.1 mm -81.68 127.93 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.748 0.309 . . . . 0.0 111.099 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.2 115.85 24.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.048 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -103.78 124.74 49.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.406 ' HB1' ' CD2' ' A' ' 99' ' ' PHE . . . -153.0 154.26 30.8 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.073 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.2 -174.69 0.44 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.553 2.168 . . . . 0.0 112.257 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 121' ' ' TRP . 11.2 t80 -101.41 124.95 47.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 3.4 t -109.8 -26.17 9.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.081 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 119' ' ' TYR . 0.0 OUTLIER -55.17 153.56 6.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.051 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.2 m -175.86 172.06 2.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -168.8 162.99 8.06 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.821 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -50.43 -31.4 30.43 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.557 2.171 . . . . 0.0 112.362 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -104.43 53.25 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -104.87 -33.96 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.037 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.11 -31.85 72.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -77.32 -30.81 54.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -72.18 -38.94 68.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -76.73 -41.0 46.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.923 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -68.94 -33.58 73.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.2 m -69.94 -37.58 75.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.96 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 53.4 p -84.03 -31.49 25.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.01 30.56 7.4 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.458 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 75.6 mt -107.39 -176.81 3.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.807 0.337 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.67 160.83 37.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -100.43 -31.96 11.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.52 -55.43 6.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 4.4 mttp -64.51 121.03 13.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -173.09 143.21 1.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -142.5 78.87 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 64.5 p-90 -75.42 -28.62 59.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -57.75 -31.21 66.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -71.87 120.4 17.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.994 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 21.5 t -144.61 146.82 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -130.78 140.72 50.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.42 119.5 37.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.574 0.226 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.03 63.0 2.52 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.509 2.139 . . . . 0.0 112.326 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -149.05 -70.15 0.21 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 66.4 p-90 -93.74 158.9 15.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 4.1 m -143.32 156.92 44.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 32.2 mt -94.16 146.03 7.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.044 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 13.8 tp -75.83 127.17 86.06 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.34 -167.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.41 2.073 . . . . 0.0 112.325 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -105.03 33.39 3.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -123.16 -43.59 2.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -98.47 29.86 3.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.977 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.79 -31.32 45.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.935 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -80.6 126.88 31.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 20.7 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.039 179.94 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.415 ' CE2' ' HE2' ' A' ' 23' ' ' LYS . 4.5 m-85 -146.2 129.12 16.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 0.0 110.927 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.4 p -158.68 177.71 10.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 60.35 35.85 20.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.25 146.77 48.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -150.87 147.36 27.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.7 p 58.71 32.69 22.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -125.05 174.41 8.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.8 t -128.03 114.4 34.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.7 mt -108.84 141.72 40.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.5 145.94 49.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.956 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.415 ' HE2' ' CE2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -143.18 158.5 43.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.788 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.44 175.35 9.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.28 -31.07 72.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.032 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.55 -34.01 64.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.813 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -80.32 -36.0 34.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 mt -77.58 -50.3 12.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 59.58 31.6 21.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 60.0 71.2 0.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -127.12 -176.89 3.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -91.45 100.07 12.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.9 t -65.94 110.74 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.047 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.7 tp -109.74 115.84 30.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.969 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 mt -135.19 133.56 39.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.6 t -162.11 166.74 25.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 62.13 40.04 12.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.2 mt -110.15 163.3 13.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.983 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.7 m -158.69 111.28 2.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 60.84 31.35 20.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.8 t -101.23 103.49 14.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.53 144.8 55.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.784 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.58 157.36 43.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -155.57 100.09 2.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.3 mt -102.72 158.27 16.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -147.62 100.18 3.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 165.41 -138.82 5.45 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -148.22 67.65 9.97 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.773 0.321 . . . . 0.0 110.968 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.28 146.47 40.03 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.579 2.186 . . . . 0.0 112.25 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -62.61 -56.87 13.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -136.39 151.16 49.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.4 tp -123.98 140.4 53.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -152.39 116.04 4.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.0 tp -127.34 128.67 46.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.807 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.0 p -149.17 160.11 43.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.4 mttm 59.62 37.45 22.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -107.49 144.1 34.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.001 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -138.41 121.68 17.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.3 m 59.53 27.24 16.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 59.0 m -95.55 146.69 24.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -118.03 111.12 18.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.2 tp -112.05 128.21 56.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.6 mt -137.74 111.29 8.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 51.6 t -141.25 156.29 45.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.81 -179.91 1.3 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -62.97 119.37 6.41 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.613 2.208 . . . . 0.0 112.209 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.9 p -58.59 158.44 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.07 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 t -69.12 -52.32 29.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.971 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.12 -77.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.46 179.98 7.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.0 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 24.4 t -123.2 158.8 27.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -132.89 118.56 19.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.6 tp -113.78 136.97 52.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -160.87 142.16 11.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 62.9 32.49 15.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 10.0 m -103.0 138.53 39.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.4 t -147.8 130.53 16.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 60.33 34.13 20.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 14.5 m -107.7 165.86 11.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -134.13 90.21 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 tp -86.85 151.19 23.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -149.19 97.25 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.4 p -162.71 128.6 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.088 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.25 154.46 35.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.068 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 30.7 p -169.93 -179.95 3.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -104.39 -31.54 9.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -137.64 121.17 17.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.952 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 32.6 tp -115.17 138.18 51.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.13 117.04 19.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.3 mt -114.33 147.26 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.053 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -153.13 131.62 12.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.026 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 63.4 m 59.33 37.09 23.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.996 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 51.6 m -110.42 134.02 52.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.797 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -148.08 140.47 24.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.32 30.74 20.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.0 m -113.16 130.08 56.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.979 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -93.36 140.32 29.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 29.5 mt -139.3 126.57 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.157 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.418 ' CZ ' HD22 ' A' ' 163' ' ' LEU . 9.7 m-85 -116.51 109.06 16.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -152.41 176.06 12.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -127.63 90.09 3.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 8.8 m -81.9 121.38 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 70.1 p -90.59 -33.77 15.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.56 -74.86 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -176.61 176.05 1.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -142.22 157.73 44.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 22.3 mt -123.83 148.77 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 5.2 m -149.79 109.65 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.088 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -122.41 138.26 54.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.804 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 60.18 30.88 20.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 96.9 m -110.76 152.93 26.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 m -157.75 128.8 6.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.1 28.05 50.81 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.557 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 26.7 mm -82.24 148.1 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.819 0.343 . . . . 0.0 111.085 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -112.82 129.34 56.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -122.74 122.22 38.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.411 ' HB1' ' CD2' ' A' ' 99' ' ' PHE . . . -140.02 162.17 51.82 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.061 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.24 168.53 20.61 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.558 2.172 . . . . 0.0 112.343 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -112.96 127.1 56.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.27 31.33 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -84.24 178.43 7.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.748 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.8 m 61.23 -177.54 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.841 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.436 ' N ' ' HD2' ' A' ' 124' ' ' PRO . 0.3 OUTLIER -177.52 -62.38 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.01 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 123' ' ' TYR . 19.3 Cg_endo -58.84 -23.18 66.01 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.491 2.128 . . . . 0.0 112.292 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -146.95 53.32 1.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 9.1 tp -110.02 -34.97 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.061 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.23 -38.99 63.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -73.68 -38.31 64.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.93 -34.99 79.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.23 -32.2 73.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -88.71 -31.6 18.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.17 -47.48 20.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 78.9 p -59.37 -38.18 79.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 112.26 30.59 2.87 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.436 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 24.5 mt -108.49 171.48 7.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.88 137.53 52.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 51.5 mtp85 -87.9 -31.43 19.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.49 -56.88 3.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -60.19 132.14 52.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -148.05 122.21 9.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -150.19 86.02 1.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 33.8 p-90 -110.35 -29.29 8.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.956 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.32 -31.05 67.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.07 104.95 13.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.64 127.55 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -77.25 100.67 5.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -95.22 136.29 35.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 20.0 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.754 0.311 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.44 62.79 2.83 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.545 2.164 . . . . 0.0 112.322 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -107.79 -32.57 7.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 24.6 p-90 -117.78 112.27 20.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.58 170.88 15.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 33.3 mt -124.54 131.6 72.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.418 HD22 ' CZ ' ' A' ' 99' ' ' PHE . 5.5 tp -61.65 131.85 92.93 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.755 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -67.82 167.9 20.08 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.529 2.153 . . . . 0.0 112.279 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -93.14 47.58 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -141.11 -46.19 0.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -97.02 33.05 1.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -67.59 -47.81 68.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.815 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -69.33 120.41 15.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.78 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 19.3 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.143 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 N-CA-C 112.526 -0.229 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -130.83 150.44 52.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 90.3 p -164.14 176.81 8.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 60.36 32.65 20.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.4 mt -114.98 142.15 47.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.81 130.74 20.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m 61.84 31.73 18.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -115.39 161.4 18.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.0 t -125.67 121.89 61.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.048 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 mt -113.05 170.34 8.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -153.49 139.1 17.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.8 mttt -138.27 157.52 46.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.2 mtm-85 -127.5 179.84 5.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.82 -42.33 77.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.106 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.6 t -67.74 -30.76 70.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.09 -45.47 70.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.945 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.5 mt -77.87 -79.96 0.11 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 61.67 69.99 0.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.936 0.398 . . . . 0.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 57.69 74.06 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -134.98 165.6 24.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -103.92 101.8 11.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.823 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 25.9 t -86.76 114.64 26.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.3 tp -119.19 111.31 18.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -116.79 136.01 53.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.8 t -161.8 167.44 24.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.986 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 60.05 39.55 19.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 mt -111.49 154.54 24.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.1 115.1 6.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 60.96 30.67 19.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.935 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.6 t -100.73 131.18 46.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.6 m -91.53 134.15 34.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -134.08 130.05 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.149 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -136.3 134.82 38.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.966 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.9 mt -130.33 156.67 44.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.892 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -144.29 104.61 4.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 157.41 -137.2 5.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.486 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -150.18 83.36 6.1 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.726 0.298 . . . . 0.0 110.909 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.29 173.37 11.54 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.626 2.217 . . . . 0.0 112.281 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -76.92 -63.3 1.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.841 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.3 m -138.37 148.23 44.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.3 tp -119.04 143.65 46.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -154.17 139.01 17.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.3 tp -147.69 131.46 16.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.789 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.0 p -148.53 158.84 44.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.04 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.1 mttt 59.64 31.26 20.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -101.78 124.91 48.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.056 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -126.55 125.71 42.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.012 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.7 m 58.49 30.92 20.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.971 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 35.1 m -108.54 150.68 27.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -111.66 140.95 45.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.9 tp -135.0 128.42 32.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.953 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.1 mt -139.68 123.85 17.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.1 p -157.54 162.54 38.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -70.08 -179.93 26.63 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.476 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.418 ' HG3' ' CD1' ' A' ' 130' ' ' PHE . 26.0 Cg_endo -61.91 127.71 22.18 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.59 2.193 . . . . 0.0 112.216 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.1 p -69.7 158.6 5.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.167 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 m -68.5 -53.77 21.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.969 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.8 p -102.16 -76.2 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -163.25 179.99 7.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.015 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.86 159.06 21.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -131.73 128.9 39.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 tp -126.4 134.4 51.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.754 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -157.41 139.03 13.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.948 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.83 39.99 10.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.029 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.3 m -105.97 135.0 48.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.84 128.96 16.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 60.69 36.35 19.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -109.34 174.32 5.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.811 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.36 89.96 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.49 138.68 32.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -139.34 99.78 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.8 p -163.62 153.31 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.081 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -105.65 130.3 53.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 9.4 p -144.27 179.98 6.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.958 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -100.78 -31.27 11.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.964 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -143.59 99.92 3.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 47.8 tp -78.68 158.3 28.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -146.2 105.32 3.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.956 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.2 mt -109.82 158.61 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.414 ' CD2' ' HB3' ' A' ' 109' ' ' GLU . 50.2 t-80 -167.54 142.91 3.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.119 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.4 m 51.07 28.69 4.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.214 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 28.8 m -100.12 139.35 35.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.937 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.7 pttp -151.06 130.76 13.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.975 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.31 39.96 21.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.032 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.6 m -121.0 112.39 18.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -64.73 139.48 58.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.798 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 27.8 mt -140.83 123.68 15.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.196 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -120.38 100.32 7.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.791 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -137.7 171.62 14.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.054 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -128.7 89.9 2.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.819 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.8 m -81.53 134.2 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 10.6 p -100.8 -30.78 11.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.62 -65.51 0.97 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -177.62 177.64 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -129.47 164.23 24.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.055 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 32.8 mt -142.14 138.97 30.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 30.3 m -148.69 129.18 4.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.046 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.414 ' HB3' ' CD2' ' A' ' 91' ' ' HIS . 0.2 OUTLIER -126.21 129.44 48.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.04 30.93 18.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 13.7 m -107.5 141.19 39.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.51 136.88 23.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.07 27.74 63.7 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.571 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 29.7 mm -82.48 114.7 23.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.841 0.353 . . . . 0.0 111.054 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.93 104.37 11.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -90.53 136.66 32.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -155.15 159.8 31.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.99 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.01 159.3 53.72 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.532 2.154 . . . . 0.0 112.301 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -79.97 95.38 6.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.75 105.02 15.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -161.95 120.54 2.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.55 131.25 56.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -145.43 160.13 46.11 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.35 -32.67 52.66 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.596 2.198 . . . . 0.0 112.319 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -131.64 64.3 1.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -110.11 -33.58 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.003 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.43 -34.11 63.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.847 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -30.9 69.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.34 -45.78 79.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.418 ' CD1' ' HG3' ' A' ' 66' ' ' PRO . 11.2 m-85 -58.92 -37.28 76.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.046 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.06 -33.72 50.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.18 -55.51 32.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 40.3 p -61.57 -37.52 84.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 107.91 30.28 4.03 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.467 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 34.5 mt -96.19 159.61 14.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.784 0.326 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.71 152.3 25.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.822 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -112.05 30.31 7.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.78 -34.69 6.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -85.92 128.69 34.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.85 111.83 3.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -139.1 43.16 2.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 64.1 p-90 -66.24 -30.75 71.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -59.31 -36.09 74.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.921 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.21 110.97 21.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 21.6 t -122.53 146.1 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -83.47 153.24 24.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -135.1 130.12 35.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.806 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.609 0.242 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -62.51 76.15 0.1 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.68 2.253 . . . . 0.0 112.24 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -140.52 -61.07 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 66.3 p-90 -91.01 141.95 28.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.802 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -127.96 164.67 21.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.956 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 18.2 mt -101.1 141.68 17.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 13.8 tp -75.99 137.36 69.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.15 -168.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.437 2.091 . . . . 0.0 112.273 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -105.34 29.8 6.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -117.28 -42.18 2.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -98.73 31.41 2.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -67.21 -55.83 12.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -102.92 158.68 16.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 31.2 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.546 -0.222 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.418 ' CD2' HD13 ' A' ' 21' ' ' LEU . 11.4 m-85 -147.66 129.58 15.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.9 p -153.49 171.52 18.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.4 m120 60.62 32.44 20.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.937 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.3 mt -113.24 169.34 9.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -169.92 129.31 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.96 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.07 34.33 19.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -121.53 147.83 45.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.8 t -107.86 109.79 29.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.063 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.418 HD13 ' CD2' ' A' ' 13' ' ' PHE . 12.8 mt -93.54 139.4 30.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -149.38 127.06 11.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -119.55 -179.95 4.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.66 167.16 16.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.946 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.96 -56.77 17.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.062 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.87 -31.13 69.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.952 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -70.51 -42.47 71.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.953 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.5 mt -79.85 -56.01 4.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.982 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 63.26 34.24 13.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.99 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 59.25 94.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.5 mtt85 -147.19 168.41 21.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -67.16 126.16 28.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.8 t -103.32 109.4 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.0 tp -108.11 104.6 14.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 mt -117.13 122.25 43.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.3 t -153.52 164.65 37.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 62.82 35.55 13.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.8 mt -97.21 152.97 18.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 72.6 m -161.69 112.88 1.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 60.28 32.01 20.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.792 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.53 148.2 29.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.67 131.59 53.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.2 t -123.22 147.75 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.23 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.6 mtm-85 -157.2 99.94 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.6 mt -93.27 134.96 34.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -121.28 107.22 12.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 158.98 -121.76 1.08 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.553 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -160.5 69.19 2.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.746 0.308 . . . . 0.0 110.855 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.54 149.51 30.8 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.555 2.17 . . . . 0.0 112.273 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -69.49 -69.28 0.35 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.15 100.03 4.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.9 tp -69.09 136.52 52.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.66 100.67 4.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.65 127.43 55.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 36.6 p -151.08 163.33 39.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.949 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt 59.05 33.12 22.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.18 144.77 27.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.065 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -147.6 118.66 7.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.8 m 61.03 30.15 19.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 15.0 m -111.4 151.46 28.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -115.62 146.42 41.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -138.9 132.06 29.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.4 mt -141.74 103.9 4.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.8 p -134.2 165.27 25.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.78 -179.98 21.29 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.481 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -64.74 119.7 6.8 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.66 2.24 . . . . 0.0 112.276 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.3 p -60.8 156.35 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.15 -49.6 42.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.952 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.08 -77.78 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.016 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.3 m -164.04 -179.97 6.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.996 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 24.3 t -123.67 158.66 29.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -131.85 125.77 32.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.0 tp -121.23 136.0 55.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.818 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -161.77 143.38 11.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 61.74 39.93 13.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 76.8 m -116.56 148.6 40.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.6 t -160.43 140.36 11.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 59.98 30.61 20.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.943 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 22.5 m -112.65 168.64 9.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.836 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 22.5 t -132.25 91.57 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.06 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 tp -88.33 142.15 27.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -146.67 99.75 3.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.9 p -158.22 122.47 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.044 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.55 124.63 25.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.993 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.2 p -141.78 179.98 6.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.981 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.69 -49.72 5.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.79 112.38 14.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 21.9 tp -90.48 124.22 34.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -117.28 115.45 25.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.41 HD13 HG23 ' A' ' 90' ' ' ILE . 28.3 mt -119.64 158.39 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -165.72 136.96 3.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.036 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 57.65 31.01 19.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 84.6 m -103.94 150.64 24.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.1 ptmm? -164.45 139.63 5.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.3 t0 59.78 38.48 21.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.2 m -118.61 101.36 8.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -71.82 102.37 2.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.2 mt -96.65 137.86 23.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.009 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -126.7 91.76 3.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.935 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -140.22 -179.96 6.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.931 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -136.08 98.16 3.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.2 m -81.17 133.02 30.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 68.5 p -97.7 -30.91 12.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 65.1 m -92.88 -77.01 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.028 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 43.7 mtt180 -161.22 179.98 7.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.031 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -134.38 138.81 45.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.029 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 22.9 mt -121.32 139.43 48.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.194 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.3 m -144.82 138.67 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.053 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -137.18 133.4 35.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.7 t70 53.55 28.93 8.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 87.5 m -90.95 146.14 24.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.91 126.66 6.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.13 32.06 36.74 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.534 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 24.3 mm -90.12 148.01 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -115.47 111.98 21.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -93.5 129.0 39.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -151.98 145.09 17.33 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.062 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -56.12 171.38 0.84 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.471 2.114 . . . . 0.0 112.24 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.42 ' CE2' ' HB2' ' A' ' 121' ' ' TRP . 68.5 t80 -89.57 142.98 27.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.759 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.7 p -137.55 104.27 5.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.42 ' HB2' ' CE2' ' A' ' 119' ' ' TYR . 0.0 OUTLIER -178.56 123.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 179.865 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -144.63 154.05 42.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -172.47 163.69 3.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -51.55 -27.65 26.02 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.646 2.23 . . . . 0.0 112.499 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.1 30.79 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -80.97 -43.86 20.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.137 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.58 -34.22 72.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.953 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -67.99 -30.63 69.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.961 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -77.06 -58.43 3.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.422 ' CZ ' ' HG2' ' A' ' 137' ' ' ARG . 27.8 m-85 -58.98 -34.98 72.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -65.3 -38.18 89.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.4 m -68.41 -52.58 31.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 14.8 p -68.19 -39.14 82.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.06 28.06 32.18 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.7 mt -92.45 168.68 11.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.774 0.321 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.3 144.46 45.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . 0.422 ' HG2' ' CZ ' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -107.41 32.07 4.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.61 -44.67 1.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.814 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 47.8 mttm -77.13 91.8 3.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -82.07 162.42 22.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.815 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -175.79 38.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.846 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 41.7 p-90 -93.76 -13.32 27.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.39 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -75.41 -31.73 60.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.909 0.385 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -91.38 105.55 17.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.411 ' HB ' ' CZ2' ' A' ' 160' ' ' TRP . 21.6 t -121.4 139.84 47.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.29 179.29 4.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -157.07 114.36 3.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.961 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.689 0.281 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.52 63.46 1.65 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.507 2.138 . . . . 0.0 112.366 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -120.31 -48.82 2.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.817 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.411 ' CZ2' ' HB ' ' A' ' 145' ' ' VAL . 65.5 p-90 -117.8 148.51 42.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.71 168.29 16.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 35.8 mt -111.26 135.03 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.051 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 13.5 tp -63.17 136.2 96.58 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -73.61 -168.71 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.529 2.152 . . . . 0.0 112.314 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -97.47 39.63 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -125.57 -44.71 1.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -104.89 31.82 4.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -77.3 -66.14 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -79.72 84.29 5.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.96 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.412 ' CG ' HD11 ' A' ' 21' ' ' LEU . 6.8 m-85 -134.52 121.74 21.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.772 0.32 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.3 m -139.3 170.43 15.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.1 m120 62.6 39.07 11.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mt -129.59 134.51 47.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -135.96 131.25 34.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.65 32.97 20.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -116.04 171.87 7.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.4 t -125.17 142.99 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.412 HD11 ' CG ' ' A' ' 13' ' ' PHE . 10.5 mt -133.22 137.33 46.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.943 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -139.15 113.2 8.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt -115.74 127.45 55.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.74 176.23 6.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.11 -31.42 72.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.7 m -76.79 -33.76 58.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -73.44 -33.33 64.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 mt -92.62 -49.76 5.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 59.19 40.58 21.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.95 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 60.21 81.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.98 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -138.09 -179.0 5.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -78.29 141.2 38.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -117.61 109.33 27.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.158 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.1 tp -118.38 136.83 53.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.9 mt -140.13 140.21 35.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 t -163.41 157.29 19.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 61.01 39.9 15.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 82.9 mt -112.13 133.97 53.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.99 116.42 13.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.796 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 60.52 33.57 20.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.1 t -106.2 113.97 27.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.11 122.79 25.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -118.68 118.66 58.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 37.1 mtt180 -123.32 101.91 7.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.2 mt -95.26 156.39 16.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.445 ' CE1' ' CH2' ' A' ' 121' ' ' TRP . 61.6 m-85 -146.44 104.78 3.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 163.4 -130.55 2.25 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.505 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -155.49 82.26 3.84 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 120.651 0.263 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.89 144.27 52.8 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.576 2.184 . . . . 0.0 112.335 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.52 -58.77 7.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.824 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.03 99.97 3.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.2 tp -70.03 146.38 51.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.797 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -152.72 135.64 15.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.972 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 47.6 tp -143.26 126.44 16.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.741 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.1 p -149.75 161.92 41.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt 59.62 31.41 20.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.57 143.71 29.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.058 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -146.58 122.46 10.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 m 60.18 31.17 20.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 55.7 m -108.71 163.32 13.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -124.67 117.4 24.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.3 tp -106.09 123.79 48.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.95 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.6 mt -136.37 111.83 9.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 52.1 t -143.86 156.12 44.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.09 -179.88 17.69 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.406 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -57.26 114.39 1.92 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.674 2.249 . . . . 0.0 112.175 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.2 p -57.53 158.53 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.206 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.1 t -63.17 -53.65 49.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.2 -78.01 0.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.077 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.0 m -149.02 -179.99 7.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.08 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.9 t -127.46 159.04 38.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -127.36 139.05 53.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.3 tp -132.16 132.74 43.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -156.54 135.97 12.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.064 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 62.89 40.13 9.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.051 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.2 m -107.6 133.72 51.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.818 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -149.52 139.05 21.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 59.2 30.29 20.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 84.6 m -115.07 159.53 20.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.17 91.86 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.5 tt -86.85 149.91 24.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.962 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -154.64 97.91 2.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.3 m -155.01 120.6 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.161 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.94 144.34 54.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.055 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 27.6 p -168.66 160.14 10.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.957 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -72.33 -37.57 68.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -136.22 153.31 51.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 16.7 tp -132.18 154.86 49.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -144.69 114.74 7.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.3 mt -118.33 158.6 19.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.074 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -166.24 145.09 5.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.988 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 51.09 28.23 3.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 47.6 m -102.59 135.02 44.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -144.71 131.67 20.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 60.1 39.99 18.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.011 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.0 m -119.5 113.87 21.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 -72.17 145.32 48.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 20.7 mt -138.98 109.26 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.198 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -103.69 93.56 4.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -143.13 171.96 13.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -124.01 105.19 9.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 15.1 m -91.57 138.46 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 46.1 p -109.52 -31.38 7.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.73 -74.3 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.7 ptp85 -176.33 153.79 1.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -105.53 147.54 28.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.081 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 23.6 mm -119.14 130.51 73.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 29.1 m -132.84 130.6 58.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.081 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -140.23 126.17 19.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 61.26 31.58 19.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 56.3 m -108.69 155.85 20.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 41.4 m -159.37 138.07 10.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.951 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 69.74 30.71 70.44 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.474 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 29.7 mm -83.41 158.19 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.786 0.327 . . . . 0.0 111.186 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.18 123.17 40.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -115.25 118.82 34.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -148.69 152.74 38.32 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.31 169.15 0.33 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.611 2.208 . . . . 0.0 112.297 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.414 ' CE2' ' HB2' ' A' ' 121' ' ' TRP . 74.4 t80 -82.71 143.56 30.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 4.9 p -138.4 110.25 7.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.445 ' CH2' ' CE1' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -177.69 91.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.82 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 68.4 m -85.48 115.07 22.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.06 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.44 ' CG ' ' HD2' ' A' ' 124' ' ' PRO . 0.1 OUTLIER -134.09 152.82 79.08 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.737 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' A' ' 123' ' ' TYR . 29.7 Cg_endo -63.31 -25.76 71.64 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.511 2.14 . . . . 0.0 112.317 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -107.57 40.07 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.828 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -89.3 -34.19 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.209 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -59.57 -55.71 31.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.23 -31.38 70.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.59 -48.69 80.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.809 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -68.11 -36.46 79.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -68.19 -41.57 81.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.8 m -74.89 -34.9 62.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.955 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 44.2 p -65.11 -32.69 74.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.56 31.13 41.97 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.548 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 19.7 mt -102.51 -178.2 3.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.352 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.34 122.84 41.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.812 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -82.44 -33.61 28.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.14 -31.65 70.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.964 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -76.72 115.57 16.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -135.12 94.5 3.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -141.14 82.27 1.82 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 52.1 p-90 -103.24 34.19 3.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -117.09 -44.74 2.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -74.02 109.87 7.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 21.5 t -121.03 157.67 24.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.47 110.99 23.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.11 120.53 34.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.535 0.207 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -77.18 59.12 6.46 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.485 2.124 . . . . 0.0 112.388 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -128.8 -54.23 1.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 62.0 p-90 -94.93 162.59 13.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.51 171.9 16.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 33.1 mt -112.88 139.33 38.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.083 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 9.4 tp -71.78 136.07 83.04 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.758 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.69 -174.41 0.71 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.442 2.094 . . . . 0.0 112.282 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -98.49 28.08 4.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.962 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -120.76 -38.25 2.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.042 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -97.11 36.12 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -105.4 30.95 5.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.867 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -136.71 75.21 1.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 3.3 mp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.093 179.958 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -135.38 130.81 35.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.851 0.357 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.0 p -165.05 176.76 8.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 60.62 36.9 19.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.2 mt -117.24 160.06 21.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -148.31 121.73 9.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 m 60.86 37.14 18.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -112.93 155.09 25.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.6 t -122.53 119.32 57.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.098 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.7 mt -102.49 165.3 11.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -162.54 116.52 1.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -116.8 158.93 23.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.812 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.17 171.82 7.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.806 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.59 -30.98 72.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.119 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.93 -33.42 74.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.65 -53.41 9.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.56 -74.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 60.87 55.77 3.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.72 85.84 0.11 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.36 170.65 20.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -85.54 150.73 24.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.76 132.73 65.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.063 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.4 tp -124.93 125.04 43.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mt -137.28 123.49 20.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 t -155.47 168.59 26.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.0 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 61.03 39.93 15.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.1 mt -118.75 139.45 51.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.6 m -133.38 120.24 20.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 60.54 31.74 20.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.773 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.0 t -99.47 168.05 10.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.82 137.25 39.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.3 t -136.73 141.33 41.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.165 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -140.4 117.71 11.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.2 mt -107.77 126.04 52.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -107.3 113.73 27.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 147.16 -121.61 1.43 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -165.21 87.75 1.0 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.702 0.287 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 170.01 17.47 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.591 2.194 . . . . 0.0 112.342 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -84.27 -54.72 4.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.3 m -146.01 122.47 11.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.4 tp -89.1 133.39 34.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.64 116.5 17.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.6 tp -132.61 125.9 31.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.5 p -149.32 157.58 43.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.922 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mttt 60.22 36.88 20.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.06 140.05 30.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.048 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.1 m80 -133.59 106.73 7.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.1 m 60.19 29.96 19.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 86.4 m -95.42 152.79 18.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 70.0 mttt -120.49 138.21 53.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.85 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.93 128.16 31.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.6 mt -135.95 99.91 4.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.755 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 21.5 p -130.22 170.41 14.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.98 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.34 -179.95 35.21 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.436 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.419 ' HG3' ' CD1' ' A' ' 130' ' ' PHE . 36.8 Cg_endo -65.7 116.84 4.16 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.507 2.138 . . . . 0.0 112.295 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.0 p -59.97 158.58 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.2 t -64.58 -54.27 34.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -104.62 -79.21 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.059 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.5 m -158.73 -179.91 8.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.008 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 22.0 t -116.09 159.22 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -130.23 112.02 12.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.3 tp -113.41 142.47 45.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.787 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -167.15 144.7 4.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.952 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 61.51 40.05 14.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 54.3 m -108.92 146.32 33.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.5 t -146.98 124.65 11.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.96 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.7 31.12 20.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.0 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 76.5 m -101.75 160.81 14.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.51 89.99 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.1 tp -81.17 125.94 30.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.935 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -123.71 104.78 9.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.9 p -169.36 120.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.06 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.46 122.62 24.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.7 p -143.84 178.0 8.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.995 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -92.49 -30.56 15.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -144.55 155.29 43.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 57.3 tp -148.09 119.9 8.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -103.82 107.03 17.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.036 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.9 mt -102.26 147.23 9.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -153.86 137.61 16.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.058 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.6 m 57.51 30.64 19.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 32.4 m -105.92 135.39 47.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.6 ptpt -147.4 138.17 23.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 57.33 36.67 27.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.7 m -120.25 116.59 25.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -75.01 145.23 42.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.744 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 20.4 mt -142.25 104.1 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.15 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.403 ' CD2' ' HB2' ' A' ' 117' ' ' ALA . 39.5 m-85 -97.68 100.26 11.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.823 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -145.78 169.5 18.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -115.68 89.91 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.838 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 26.8 m -82.41 115.37 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.164 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 34.0 p -78.24 -30.27 48.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -100.65 -76.62 0.55 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.2 ptt85 -174.78 177.97 1.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -134.08 147.27 50.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 29.1 mt -107.03 147.61 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.5 m -145.46 119.74 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.163 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -126.65 130.8 51.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 59.56 29.72 19.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 14.3 m -106.24 163.94 12.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.5 m -167.71 130.79 1.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.01 28.13 50.9 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.525 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 26.7 mm -83.3 139.46 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.803 0.335 . . . . 0.0 111.082 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.94 116.81 31.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -102.61 125.17 49.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.403 ' HB2' ' CD2' ' A' ' 99' ' ' PHE . . . -144.66 149.18 42.58 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.426 ' HD3' ' CE3' ' A' ' 142' ' ' TRP . 45.4 Cg_exo -55.95 -168.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.597 2.198 . . . . 0.0 112.247 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -111.42 120.18 41.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.833 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 3.3 t -101.85 -29.21 11.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.42 99.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.009 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.1 m -139.75 174.25 10.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -154.7 164.69 20.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -50.91 -27.44 20.84 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.545 2.163 . . . . 0.0 112.317 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -124.66 62.82 1.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -109.62 -27.98 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.74 -31.33 71.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -62.75 -43.01 99.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.86 -48.33 82.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.419 ' CD1' ' HG3' ' A' ' 66' ' ' PRO . 12.6 m-85 -58.81 -32.08 69.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.48 -37.42 74.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.8 m -63.12 -31.62 72.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.01 -44.78 10.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.63 31.05 5.91 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.439 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 65.5 mt -89.15 152.39 21.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.804 0.335 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.11 128.09 33.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -97.11 -37.97 9.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 24.5 t -62.56 -34.45 76.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -73.59 161.6 30.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -176.16 85.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.837 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -104.25 52.18 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' TRP . . . . . 0.426 ' CE3' ' HD3' ' A' ' 118' ' ' PRO . 39.9 p-90 -77.83 -27.79 50.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.072 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.403 ' ND2' ' CE2' ' A' ' 142' ' ' TRP . 5.0 m-80 -60.43 -48.26 82.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.896 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -75.02 146.37 41.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.992 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.403 ' HB ' ' CE2' ' A' ' 160' ' ' TRP . 21.6 t -152.44 139.04 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.08 170.35 12.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.817 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -169.92 132.04 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.945 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 CA--C 1.529 0.14 0 CA-C-O 120.579 0.228 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -68.97 63.63 1.34 Allowed 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.515 2.143 . . . . 0.0 112.24 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -131.52 -53.46 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.406 ' O ' ' CE3' ' A' ' 160' ' ' TRP . 68.3 p-90 -105.58 124.81 50.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 1.9 m -106.76 170.3 8.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 29.4 mt -106.35 159.06 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.056 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.8 tt -98.68 135.17 21.13 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.93 178.93 6.58 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.51 2.14 . . . . 0.0 112.377 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -81.75 -29.11 32.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.8 -30.82 70.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.96 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -96.61 -22.14 17.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.217 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.72 -30.15 42.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.083 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -73.73 123.47 24.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 29.1 mt . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.932 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.549 -0.22 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -144.08 113.77 7.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.0 p -144.93 175.84 9.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.969 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 62.89 31.21 16.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.1 mt -116.06 145.35 43.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -145.54 132.66 20.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 m 60.62 31.74 20.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -116.53 173.75 6.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.4 t -128.88 128.16 67.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 33.6 mt -114.91 141.08 48.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -141.57 156.77 45.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -156.99 157.3 34.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.944 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.2 mmt-85 -116.25 167.32 11.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.807 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.15 -33.54 75.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.3 t -69.73 -33.59 72.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.98 -39.18 66.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 mt -85.44 -69.25 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 60.57 54.48 3.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 61.73 94.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -154.63 174.94 14.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -89.26 125.55 35.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -105.45 128.49 59.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.124 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.6 tp -126.12 127.16 45.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 mt -137.62 121.67 17.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.1 t -152.37 167.41 28.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.958 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 59.57 37.72 22.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.2 mt -108.68 148.11 30.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 m -148.52 114.62 5.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 61.36 30.84 19.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.9 t -106.99 135.95 47.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.31 139.06 30.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.48 141.31 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.195 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -155.82 124.43 5.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.0 mt -129.48 103.63 7.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -89.34 100.02 12.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 174.64 -133.29 2.44 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -151.87 67.95 7.32 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.958 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.42 158.2 5.92 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.518 2.146 . . . . 0.0 112.346 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -78.89 -63.97 1.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.8 m -135.44 106.58 6.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.9 tp -72.48 158.03 36.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.935 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -164.04 126.22 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.4 tp -139.16 126.23 21.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 51.1 p -149.38 159.6 44.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt 58.9 32.91 22.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.964 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.01 139.35 38.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -138.75 122.99 18.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m 60.37 30.67 20.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 36.4 m -109.54 155.87 20.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.1 mttt -118.92 141.44 48.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.0 tp -133.01 112.89 12.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.416 ' HB3' ' CZ2' ' A' ' 121' ' ' TRP . 5.9 mt -128.52 103.72 7.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 30.9 p -132.41 166.89 20.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.92 -179.87 16.83 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.423 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -61.39 120.1 7.58 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.699 2.266 . . . . 0.0 112.205 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.1 p -59.2 158.92 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.188 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.9 t -71.07 -51.56 24.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.2 p -113.43 -78.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.073 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.8 m -152.83 -179.95 8.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 22.0 t -125.42 158.88 33.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.418 ' CE2' ' HD2' ' A' ' 89' ' ' ARG . 6.9 m-85 -129.24 129.41 44.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.939 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.9 tp -124.75 134.95 52.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.809 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -161.49 141.07 10.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 61.78 39.45 13.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 63.3 m -111.5 135.66 51.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.29 133.18 20.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 60.17 39.0 19.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.9 m -115.13 159.35 21.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.5 89.99 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 tp -80.81 148.82 29.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -153.52 97.68 2.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.055 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.5 p -163.92 122.87 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.09 125.23 28.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.972 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.7 p -142.51 179.95 6.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.937 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -94.45 -42.33 8.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.758 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -126.72 156.34 41.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.746 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 24.4 tp -139.53 140.35 37.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.016 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.418 ' HD2' ' CE2' ' A' ' 72' ' ' PHE . 0.4 OUTLIER -131.8 103.52 6.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.8 mt -108.42 141.47 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.042 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -152.2 135.99 16.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m 58.09 33.27 23.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.072 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 89.1 m -104.75 143.82 32.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.868 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.7 pttm -156.44 135.95 12.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.945 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 58.9 34.58 23.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.961 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 22.6 m -115.42 99.96 7.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.58 130.39 44.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.757 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.8 mt -126.57 134.34 66.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.178 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.408 ' CD2' ' HB1' ' A' ' 117' ' ' ALA . 30.5 m-85 -126.33 102.72 7.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -150.12 169.87 20.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.991 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -126.78 89.95 3.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.798 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 21.6 m -68.3 132.75 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.191 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 p -107.67 29.65 7.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.795 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 m -162.63 -68.98 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.3 169.21 2.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -134.26 157.68 45.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.066 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.427 HG22 HD11 ' A' ' 107' ' ' ILE . 32.3 mt -128.26 139.82 50.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.2 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.2 m -143.38 122.98 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.056 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -133.69 136.83 44.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.4 t70 61.2 31.42 19.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.822 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 18.2 m -109.99 160.1 16.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.933 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 47.5 m -160.09 136.49 8.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.51 28.55 70.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.495 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 28.7 mm -78.25 146.85 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.845 0.355 . . . . 0.0 111.055 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.27 133.63 55.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -122.92 121.43 36.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.408 ' HB1' ' CD2' ' A' ' 99' ' ' PHE . . . -127.1 157.84 70.91 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.165 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.03 151.81 67.67 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.604 2.203 . . . . 0.0 112.302 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -89.35 124.24 34.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.8 t -140.33 66.34 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.416 ' CZ2' ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -113.44 90.52 3.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.4 m -92.91 152.04 19.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -151.97 166.34 15.47 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_exo -51.07 -27.29 21.3 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.536 2.157 . . . . 0.0 112.403 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -146.72 87.1 1.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.814 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 17.5 tt -109.48 -25.46 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.249 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.92 -48.78 75.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 10.7 mttp -63.99 -37.51 87.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.6 -35.56 79.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -75.57 -37.05 60.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.823 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -63.39 -39.48 94.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.2 m -61.52 -33.98 74.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 19.9 p -87.06 -32.74 19.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.99 31.04 29.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.472 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 45.0 mt -92.43 134.74 34.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -86.78 120.35 27.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.57 -42.86 33.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.0 -36.78 78.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -100.85 122.77 44.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -173.77 171.16 3.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -160.63 84.49 0.69 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.805 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' TRP . . . . . 0.404 ' CZ3' ' OD1' ' A' ' 143' ' ' ASN . 67.0 p-90 -84.99 -22.54 29.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.156 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.404 ' OD1' ' CZ3' ' A' ' 142' ' ' TRP . 25.6 m-20 -82.31 57.53 3.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.945 0.402 . . . . 0.0 110.957 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -170.16 111.89 0.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.811 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 21.3 t -130.28 121.67 51.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.183 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.66 104.05 16.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.798 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -85.03 152.56 23.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.006 179.911 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 CA--C 1.528 0.113 0 CA-C-O 120.568 0.223 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -68.41 65.98 1.11 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.485 2.123 . . . . 0.0 112.249 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -149.18 -61.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 62.3 p-90 -95.33 171.14 8.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 1.4 m -154.93 160.37 41.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 27.8 mt -99.39 133.79 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 22.6 tp -69.45 124.72 91.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.81 170.29 0.47 Allowed 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.355 2.037 . . . . 0.0 112.26 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -70.08 -42.85 72.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.751 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -59.88 -31.34 69.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -91.6 -23.72 19.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.065 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 4.0 mtm-85 -54.65 -47.6 73.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.873 0.368 . . . . 0.0 111.055 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -73.13 105.53 4.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 30.7 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.023 -179.892 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -137.45 151.76 48.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.892 0.377 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.3 p -169.74 174.31 5.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 61.16 35.25 18.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 mt -119.67 148.32 43.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -146.05 125.29 12.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.23 35.38 20.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -113.96 163.5 15.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.1 t -122.31 109.77 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.077 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.9 mt -93.88 144.59 25.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -140.28 131.18 26.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -128.02 179.54 5.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.85 173.48 11.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.16 -31.05 71.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.117 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.67 -32.73 62.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -70.3 -52.2 24.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 mt -60.19 -58.61 7.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.948 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.6 t60 59.99 34.04 21.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 60.17 87.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 -153.19 163.12 40.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.3 132.32 49.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -111.34 123.77 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.137 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.7 tp -129.18 137.3 51.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.7 mp -144.65 138.18 27.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.1 t -162.84 167.88 22.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 61.09 38.73 16.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mt -112.71 136.99 51.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.63 111.99 12.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.4 t30 59.81 32.03 21.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.001 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.6 t -96.59 136.71 36.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.81 126.74 39.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.3 t -121.29 126.75 75.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.055 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -136.08 99.94 4.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.814 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.1 mt -98.76 140.19 33.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -126.99 131.26 51.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 134.14 -119.69 2.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.504 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -168.5 84.65 0.71 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.785 0.326 . . . . 0.0 110.777 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.27 164.88 34.23 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.531 2.154 . . . . 0.0 112.348 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.81 -69.66 0.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.2 m -136.85 113.99 10.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.0 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 27.8 tp -80.94 140.5 35.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -142.29 118.27 10.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 tp -121.0 132.35 54.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.0 p -153.53 155.21 35.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.052 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt 58.95 34.05 23.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.022 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.15 127.86 44.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -128.7 113.4 15.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.0 m 59.84 28.44 17.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.976 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 84.0 m -96.62 167.16 11.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.4 mttm -123.14 146.29 47.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.794 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 tt -152.25 125.1 8.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.3 mt -138.24 108.67 6.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.839 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 49.3 t -130.89 156.95 44.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.991 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.79 -179.81 16.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.411 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.26 112.59 1.28 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.572 2.181 . . . . 0.0 112.223 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.3 p -64.5 158.74 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.4 t -72.0 -52.97 14.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 p -98.57 -79.51 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.967 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.2 m -165.1 -179.97 6.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.938 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.6 t -121.61 157.87 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -117.61 159.17 23.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.976 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.1 tp -159.34 107.57 1.8 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -142.19 145.78 34.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 63.3 34.22 13.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 95.5 m -107.5 146.47 31.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 66.0 p -154.97 131.76 10.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 59.78 33.32 21.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.949 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.4 167.42 9.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.824 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -132.91 92.87 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.9 tp -90.66 153.68 20.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -157.97 97.26 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.994 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.3 p -165.33 131.92 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.057 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.68 135.03 39.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.07 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.4 p -153.43 147.19 25.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -41.49 91.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.3 171.12 14.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.993 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 21.5 tp -151.8 123.0 7.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.6 107.97 15.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 20.2 mt -112.02 154.15 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -165.04 138.47 4.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 60.0 m 60.05 35.31 21.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.2 m -113.04 154.34 26.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.22 137.87 3.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.94 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 59.92 39.83 19.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.972 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.38 113.76 20.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -75.59 129.33 37.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 19.9 mt -134.0 120.08 34.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -111.96 101.61 9.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -142.57 179.75 6.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -136.74 93.63 2.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.9 m -84.32 132.03 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.7 p -95.6 -31.14 13.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.5 m -89.42 -71.66 0.59 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -176.97 179.15 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.842 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -137.41 143.33 41.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.408 HD13 HG22 ' A' ' 107' ' ' ILE . 30.4 mm -116.67 135.46 56.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.7 m -141.09 124.09 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.18 133.32 50.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.3 t0 59.99 31.33 20.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 7.8 m -94.4 149.43 21.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.92 124.22 4.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.52 30.69 48.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.481 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 27.5 mm -87.87 156.69 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 111.122 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -128.98 139.86 51.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -130.36 134.86 47.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -154.15 152.63 26.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.093 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -51.84 157.06 6.09 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.594 2.196 . . . . 0.0 112.275 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 121' ' ' TRP . 19.5 t80 -63.06 158.34 19.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.971 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -148.67 97.53 2.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 119' ' ' TYR . 0.0 OUTLIER -173.27 144.8 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.1 m -123.52 155.54 37.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.439 ' CG ' ' HD2' ' A' ' 124' ' ' PRO . 0.1 OUTLIER -160.4 145.61 11.09 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.778 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 123' ' ' TYR . 25.8 Cg_endo -62.13 -32.98 83.27 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.498 2.132 . . . . 0.0 112.338 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -121.24 45.21 2.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.81 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.416 HG12 ' CE2' ' A' ' 130' ' ' PHE . 7.7 tt -83.97 -29.74 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.163 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.63 -31.36 68.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.994 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -87.29 -29.57 21.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -58.62 -54.79 43.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.416 ' CE2' HG12 ' A' ' 126' ' ' ILE . 22.5 m-85 -60.18 -45.96 91.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -63.68 -32.82 74.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 26.4 m -62.06 -64.29 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.31 -31.17 68.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.815 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.97 27.42 5.67 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.551 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 92.5 mt -89.91 172.74 8.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.832 0.348 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.54 155.68 38.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.81 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -106.08 -31.18 8.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.0 t -98.33 30.63 3.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.002 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -138.3 94.99 2.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -107.11 134.77 49.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -142.56 47.27 1.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.803 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' TRP . . . . . 0.407 ' O ' ' CE3' ' A' ' 142' ' ' TRP . 46.1 p-90 -96.78 39.43 1.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.966 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -130.29 -45.96 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.84 107.27 14.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 17.8 m -128.88 142.8 43.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.25 100.44 13.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -86.25 135.66 33.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.529 0.138 0 CA-C-O 120.508 0.194 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.98 60.75 6.23 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.554 2.169 . . . . 0.0 112.304 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -126.61 -51.97 1.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 41.7 p-90 -106.88 175.28 5.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 18.6 m -159.26 176.33 12.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 21.7 mt -117.3 158.6 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.077 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 25.4 tp -101.12 130.14 25.63 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.792 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.72 153.58 18.81 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.419 2.08 . . . . 0.0 112.18 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -30.81 70.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -73.24 -28.41 62.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -97.73 27.62 4.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.018 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -102.46 -30.19 11.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.941 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -70.99 93.91 1.04 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.961 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 27.6 mm . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 179.88 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -124.14 137.89 54.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.8 0.333 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 m -154.06 174.63 14.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 60.33 34.48 20.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.8 mt -132.86 140.31 47.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -143.17 150.56 39.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.961 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 m 59.59 32.53 21.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -121.66 168.38 11.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.6 110.31 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.0 mt -91.76 164.46 13.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -163.96 133.2 3.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -129.67 164.75 23.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -120.47 165.98 14.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.42 -43.88 97.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.052 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -66.53 -31.65 72.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -70.76 -40.27 72.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.5 mt -76.45 -61.66 1.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 60.53 43.16 13.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 63.65 78.15 0.3 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.837 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.74 -177.73 4.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -102.45 128.13 49.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -99.62 146.64 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 tp -149.16 102.74 3.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.9 mt -116.41 125.22 51.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.7 t -151.89 162.78 40.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.998 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 61.03 38.51 17.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.778 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 mt -120.81 137.78 54.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.88 127.77 23.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.702 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 61.01 30.43 19.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.6 t -115.37 107.37 15.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.5 m -69.74 138.26 52.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -130.85 140.02 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.3 mtt180 -141.05 125.99 18.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.4 mt -117.6 129.78 55.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -113.06 125.87 54.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 133.29 -137.35 9.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -151.8 87.23 4.43 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.721 0.296 . . . . 0.0 110.806 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -73.85 160.94 42.57 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.587 2.191 . . . . 0.0 112.4 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -69.12 -64.3 0.9 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.66 142.2 49.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.0 tp -109.62 122.81 48.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -129.77 115.19 16.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -130.96 128.81 41.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.3 p -150.29 162.52 40.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt 59.24 32.36 21.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.91 121.48 42.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -124.45 123.49 40.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.8 m 60.24 31.52 20.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.947 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 82.1 m -110.11 166.51 10.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -123.19 161.6 24.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -155.72 122.47 5.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 34.4 mt -130.83 99.96 5.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.753 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 45.5 t -126.12 154.74 42.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.023 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.31 -179.79 34.79 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.45 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -56.38 108.74 0.36 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.641 2.227 . . . . 0.0 112.102 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.9 p -57.36 158.73 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.142 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.4 m -73.91 -51.25 16.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -102.12 -79.85 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.996 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.84 -179.95 7.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 25.0 t -119.57 157.04 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.086 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -135.99 132.87 36.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.9 tp -125.43 145.4 50.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -165.48 139.07 4.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 60.85 40.0 16.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.959 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 9.1 m -110.2 148.2 32.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.5 p -159.43 132.59 7.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 59.88 30.47 20.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 t -104.96 160.69 14.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.979 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 30.3 t -125.45 89.95 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.974 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.0 tt -97.31 120.2 37.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -125.5 113.39 17.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.008 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.4 p -170.09 139.2 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.63 137.78 34.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.029 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 29.3 p -157.13 172.94 17.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.995 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -89.02 -42.21 11.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -129.1 163.47 25.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 21.5 tp -147.93 131.7 16.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -119.76 105.57 11.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 22.4 mt -103.38 147.23 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.133 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -160.2 132.65 6.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.983 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 m 58.75 29.04 18.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.008 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 76.8 m -97.42 133.54 41.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.813 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.6 ptmm? -147.57 133.47 19.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.77 40.06 23.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.058 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.9 m -120.05 111.17 17.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 -80.23 112.12 17.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.4 mp -113.38 113.47 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.421 ' CD2' ' HB3' ' A' ' 117' ' ' ALA . 12.9 m-85 -101.06 92.38 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.798 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -129.44 178.99 6.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.982 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -135.95 90.01 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.795 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 18.7 m -79.57 138.22 20.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.202 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.82 -30.56 8.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.803 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 36.4 m -92.14 -69.9 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.34 177.73 1.45 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -136.79 152.44 50.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 21.8 mt -127.73 130.05 70.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.3 m -131.28 131.01 63.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.078 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -139.59 130.96 26.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.1 t0 60.03 31.63 20.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 21.9 m -110.75 155.65 22.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.5 m -155.41 134.38 12.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.963 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 76.75 27.88 60.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.572 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.418 HG23 ' CE2' ' A' ' 116' ' ' PHE . 26.7 mm -81.23 127.05 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 111.096 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.91 121.9 45.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.96 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.418 ' CE2' HG23 ' A' ' 114' ' ' ILE . 97.3 m-85 -108.27 110.36 21.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.421 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . . . -121.26 146.5 44.76 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.038 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.45 -176.08 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.469 2.113 . . . . 0.0 112.347 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -93.65 101.39 13.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 40.6 p -83.34 -35.45 25.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.988 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.42 106.98 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -119.8 154.41 34.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.848 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -140.73 156.33 69.0 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.45 -53.56 6.68 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.481 2.121 . . . . 0.0 112.276 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.87 38.33 1.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 1.1 tp -76.16 -32.68 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.044 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.35 -48.19 81.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -60.26 -31.2 70.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -65.3 -46.9 78.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.956 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -64.59 -37.82 88.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -64.24 -31.6 72.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 18.3 m -60.41 -62.65 1.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 44.4 p -59.97 -34.05 72.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.2 28.09 5.64 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 83.5 mt -90.42 157.4 17.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.831 0.348 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -104.04 133.53 48.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.97 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -102.91 30.31 4.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.69 -61.49 1.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.958 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.44 130.56 35.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -140.85 121.06 13.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -123.54 51.64 1.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 45.2 p-90 -71.56 -31.25 66.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -62.41 -56.13 21.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.51 127.42 32.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 22.1 t -141.43 139.07 32.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -80.5 123.65 28.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.965 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.39 146.41 28.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.781 -180.0 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.704 0.287 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -73.33 61.5 4.19 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.511 2.141 . . . . 0.0 112.414 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -123.75 -41.72 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 32.8 p-90 -118.55 135.27 54.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.836 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 68.6 m -134.57 173.46 11.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 30.7 mm -113.83 139.28 40.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 2.8 tp -79.4 138.43 55.52 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -67.86 148.12 76.1 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.447 2.098 . . . . 0.0 112.22 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.24 -27.71 64.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.032 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -70.2 -25.32 63.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.14 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -96.92 28.29 3.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.071 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -105.96 32.14 4.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -129.68 87.08 2.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 3.6 mp . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.409 ' CE1' HD22 ' A' ' 21' ' ' LEU . 7.7 m-85 -135.25 129.26 33.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.793 0.33 . . . . 0.0 110.851 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.0 p -152.73 172.23 17.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 35.9 m120 60.35 37.66 20.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mt -116.06 143.58 45.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -142.69 124.41 15.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.4 m 60.87 37.29 18.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -117.67 168.74 10.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.6 t -134.39 115.54 20.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.409 HD22 ' CE1' ' A' ' 13' ' ' PHE . 2.0 mt -104.2 156.23 18.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -147.42 111.21 5.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -105.7 179.43 4.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.29 -179.99 7.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -49.46 77.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.7 -33.01 73.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -33.89 67.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.845 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mt -83.3 -43.58 15.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.3 t60 59.71 24.83 13.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.046 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.07 84.08 0.08 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.009 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 45.0 mtt-85 -159.59 -178.75 7.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -69.26 149.2 48.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.88 158.55 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -145.55 128.84 16.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.2 mt -144.89 118.15 8.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.5 t -152.82 170.21 20.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 60.48 35.25 20.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mt -108.83 133.55 52.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 m -137.48 122.99 19.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 59.36 31.22 20.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.5 t -110.41 163.97 13.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.8 m -128.77 142.99 50.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.18 132.84 66.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.137 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -126.09 100.01 6.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.6 mt -96.9 116.65 29.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.955 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -107.96 100.17 9.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 157.38 -147.73 16.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -142.26 83.84 11.93 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.726 0.298 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.86 172.45 12.72 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.56 2.173 . . . . 0.0 112.34 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -82.32 -66.76 0.85 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.969 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.17 108.65 8.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.997 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 41.3 tp -83.23 146.73 28.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.71 131.02 23.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.3 tp -142.37 103.3 4.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.6 p -133.49 161.97 33.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp 60.37 39.56 18.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.18 151.27 23.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.046 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -149.01 112.87 5.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 m 60.91 37.14 18.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 16.5 m -116.25 143.07 46.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.968 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -107.9 136.78 47.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 tt -132.97 134.32 44.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.971 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -133.59 120.14 20.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.813 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 51.5 t -142.83 155.82 44.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.35 -179.86 38.54 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.441 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -57.11 106.29 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.751 2.301 . . . . 0.0 112.163 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.9 p -58.17 158.82 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.266 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.4 t -69.45 -54.89 12.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.23 -77.15 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.2 m -164.93 179.98 6.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.4 t -127.19 144.47 37.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -111.99 146.19 38.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.2 tp -142.9 135.09 27.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -160.44 148.3 16.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.025 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.02 39.74 19.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 73.9 m -118.19 131.78 56.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.8 p -138.96 139.09 37.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 59.86 30.93 20.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 77.6 m -106.3 162.59 13.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.59 90.36 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.078 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 33.3 tp -87.21 152.77 22.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -156.53 99.49 1.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.044 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.3 p -159.23 122.74 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.046 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.23 138.71 57.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 28.8 p -163.89 154.72 15.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -39.31 84.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -132.08 146.95 52.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 49.9 tp -128.6 105.58 8.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 70.8 mtm-85 -93.83 117.53 30.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.4 mt -125.15 137.48 57.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -150.64 134.91 17.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.94 36.51 12.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 32.1 m -110.22 146.12 36.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -158.11 133.72 8.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.988 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.4 t0 59.24 38.24 23.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.0 m -121.58 102.89 8.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.984 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -67.44 141.14 57.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 24.4 mt -138.81 116.45 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.413 ' CZ ' HD23 ' A' ' 163' ' ' LEU . 5.3 m-85 -104.37 95.82 6.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -142.47 172.19 13.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -124.11 102.92 7.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 8.1 m -89.42 121.27 39.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 47.0 p -77.53 -32.0 53.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 m -102.28 -71.58 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -174.73 167.14 3.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -111.34 126.29 54.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 21.3 mt -88.89 122.41 40.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.074 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 19.8 m -127.82 156.74 39.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -168.25 126.63 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.919 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 60.74 31.57 20.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 85.5 m -114.34 128.51 56.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.83 139.53 47.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.36 28.42 57.88 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 25.0 mm -85.01 147.76 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.834 0.349 . . . . 0.0 111.11 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -125.18 116.67 22.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -99.38 165.73 11.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.945 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.41 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . . . -169.97 152.38 4.39 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.09 145.51 49.7 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.599 2.199 . . . . 0.0 112.284 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.415 ' CZ ' ' HB2' ' A' ' 121' ' ' TRP . 38.6 t80 -83.82 133.98 34.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.1 p -160.04 42.0 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.996 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.415 ' HB2' ' CZ ' ' A' ' 119' ' ' TYR . 0.1 OUTLIER -61.97 163.13 8.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 49.2 m -118.04 123.75 46.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.441 ' CG ' ' HD2' ' A' ' 124' ' ' PRO . 2.2 t80 -161.26 140.79 7.84 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.441 ' HD2' ' CG ' ' A' ' 123' ' ' TYR . 30.8 Cg_endo -63.64 -23.16 70.11 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.467 2.111 . . . . 0.0 112.308 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -121.26 53.9 1.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 9.0 tt -110.02 -44.71 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.167 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -65.03 -32.69 74.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.961 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -79.03 -35.1 43.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.92 -34.73 75.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.27 -32.3 73.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -77.6 -39.99 43.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.6 m -60.23 -31.63 70.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 76.8 p -79.85 -43.51 22.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 102.47 31.03 5.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.534 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 12.1 mt -106.41 150.78 25.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.754 0.311 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.93 130.78 42.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -93.81 -33.86 13.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.1 m -68.53 -37.93 80.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.62 105.24 9.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -118.59 163.38 16.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -176.22 40.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 60.9 p-90 -72.4 -27.81 62.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -57.3 -30.79 65.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.049 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.57 109.89 22.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.811 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 21.6 t -116.55 143.04 27.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -90.56 115.56 27.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.801 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -103.09 125.43 49.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.973 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.955 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 CA--C 1.529 0.135 0 CA-C-O 120.507 0.194 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -68.8 63.99 1.28 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.4 2.067 . . . . 0.0 112.302 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -119.0 -41.09 2.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.809 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 31.6 p-90 -116.65 115.75 26.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.3 175.6 6.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 28.7 mt -127.01 139.87 50.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.096 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.413 HD23 ' CZ ' ' A' ' 99' ' ' PHE . 5.5 tp -65.56 139.96 97.36 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.33 -167.75 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.454 2.103 . . . . 0.0 112.221 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -99.92 -29.19 12.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.994 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -71.28 -25.58 62.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -93.54 17.34 11.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.411 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.91 -31.01 31.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -72.0 77.6 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.947 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 10.1 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.079 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -153.51 148.09 26.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.8 m -160.62 173.13 15.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.0 m120 60.6 39.76 17.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 mt -125.93 164.78 20.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.969 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -170.06 134.72 1.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.5 33.55 20.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -120.28 170.29 9.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.35 111.39 16.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.111 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.8 mt -106.3 171.74 7.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -151.24 126.46 9.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -115.8 141.39 48.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 ttt85 -116.71 168.61 10.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.14 -31.02 68.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.161 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.6 m -73.12 -34.06 65.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -72.45 -40.11 67.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.805 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 mt -84.94 -67.27 0.81 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.8 t60 58.26 51.61 8.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.993 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 60.08 69.2 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.93 153.83 44.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.837 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.94 138.79 58.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.66 116.43 52.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.0 tp -106.26 125.9 51.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.962 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.1 mt -143.36 115.66 8.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 t -153.87 168.54 26.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.992 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 60.58 39.54 17.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.6 mp -111.7 168.22 9.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.55 112.83 1.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 60.72 31.46 20.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -97.38 127.72 43.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.02 133.84 37.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.6 t -139.93 142.27 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.173 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -133.08 105.07 6.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.5 mt -90.09 143.64 26.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -139.08 112.65 8.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 146.01 -152.78 24.84 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.471 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -133.42 65.34 71.96 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.776 0.322 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.16 176.91 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.573 2.182 . . . . 0.0 112.334 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -86.61 -57.5 2.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -142.77 141.31 31.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.4 tp -107.59 129.65 54.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -128.25 135.45 49.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.4 tp -149.72 119.28 6.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.6 p -144.87 157.17 44.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.6 mttm 59.37 30.51 20.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.49 162.92 15.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -163.2 113.78 1.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.7 m 61.03 31.26 19.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 81.1 m -104.6 137.21 42.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -105.76 136.47 45.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.6 tp -139.81 128.1 22.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.964 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.2 mt -131.44 102.95 6.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.7 t -125.37 152.85 44.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.73 -179.87 15.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.484 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.88 109.89 0.49 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.688 2.258 . . . . 0.0 112.199 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.0 p -57.5 158.6 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.256 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 m -72.39 -51.43 20.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.6 p -104.1 -79.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.069 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.05 -179.99 7.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.976 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 28.6 t -115.92 159.04 16.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.051 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -131.16 130.18 42.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.946 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.2 tp -131.5 140.48 49.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.831 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -165.51 137.55 4.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.97 40.0 12.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 70.7 m -111.2 140.66 45.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.6 p -151.72 136.87 17.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 59.59 33.71 22.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 20.2 m -107.01 162.55 13.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.952 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -126.78 91.04 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 tp -92.58 149.3 21.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -156.13 104.47 2.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.028 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.5 p -169.59 127.58 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.16 146.48 45.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 30.6 p -163.37 172.67 14.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.968 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.59 -42.13 17.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.948 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -133.02 158.53 42.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 44.0 tp -135.16 143.32 46.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.4 ttp85 -137.4 123.7 20.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.96 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 17.2 mt -128.23 154.72 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.064 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -158.69 130.85 6.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.003 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.7 m 58.91 38.02 24.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.03 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 74.4 m -111.64 146.73 36.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.48 141.35 9.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 60.62 35.62 19.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 38.3 m -115.6 131.55 56.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -92.91 124.5 36.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.0 mp -130.94 115.72 31.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.047 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -105.92 96.93 6.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -140.07 166.97 23.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -123.73 90.66 3.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 31.0 m -71.09 135.87 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 64.8 p -104.61 -31.24 9.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.7 m -94.55 -77.14 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.934 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -163.66 171.96 14.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -129.58 139.76 51.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.067 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.417 HD11 HG21 ' A' ' 107' ' ' ILE . 31.0 mt -117.11 131.0 71.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.159 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 6.3 m -145.05 111.7 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -129.85 143.74 50.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 60.54 31.35 20.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 37.9 m -118.15 165.59 13.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -166.16 137.51 3.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.55 29.25 64.0 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 30.5 mm -80.48 156.8 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.801 0.334 . . . . 0.0 111.09 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.16 120.71 39.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -112.77 117.72 32.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -144.24 153.64 56.42 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.97 160.95 47.8 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.579 2.186 . . . . 0.0 112.315 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -74.61 134.79 42.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 9.9 m -143.9 104.04 4.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -164.79 65.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 23.0 m -65.36 127.16 30.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -132.8 158.29 76.16 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.17 -40.9 68.07 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.562 2.175 . . . . 0.0 112.217 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -124.27 69.44 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -107.66 -29.36 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.061 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -58.6 -28.23 65.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.16 -31.59 61.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -65.67 -44.04 87.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -68.04 -31.52 71.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -67.07 -34.39 77.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.972 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.2 m -59.98 -62.54 1.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 24.0 p -60.37 -43.01 96.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.33 28.4 8.57 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.471 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 11.0 mt -84.25 -179.06 7.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.776 0.322 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -118.25 137.47 53.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.931 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -93.98 -38.15 11.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 8.9 p -65.41 -40.86 93.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -77.9 128.14 33.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -139.04 150.28 45.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -158.93 37.18 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 -70.87 -31.63 68.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -63.09 -33.02 74.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -82.26 127.23 32.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 21.4 t -144.44 133.53 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.062 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -86.12 158.52 19.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.984 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -143.68 137.82 28.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.959 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 CA--C 1.529 0.147 0 CA-C-O 120.578 0.228 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.64 64.03 1.22 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.469 2.113 . . . . 0.0 112.307 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -134.24 -46.61 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 59.8 p-90 -126.26 144.8 50.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -133.97 155.86 49.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 30.6 mt -89.59 138.51 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 4.2 tp -75.25 133.07 75.27 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.79 177.54 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.378 2.052 . . . . 0.0 112.253 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -95.15 47.54 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -132.35 -45.68 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.956 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -98.82 30.38 3.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.042 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -86.33 -45.84 10.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -95.96 74.04 3.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 2.4 mp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.022 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.41 ' CG ' HD12 ' A' ' 21' ' ' LEU . 44.5 m-85 -129.98 143.6 50.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.751 0.31 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.8 p -162.68 173.12 14.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.4 m120 60.15 37.38 20.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 mt -123.21 141.64 51.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -139.55 124.14 18.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 t 60.52 32.82 20.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -110.04 171.41 7.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.8 121.68 60.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.12 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.41 HD12 ' CG ' ' A' ' 13' ' ' PHE . 11.7 mt -118.06 158.15 25.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.47 142.31 4.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.6 mtmm -139.9 153.49 46.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -113.16 172.4 6.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.97 -31.15 69.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.056 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 m -66.29 -33.04 74.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -82.17 -54.1 5.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.787 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.2 mt -66.65 -62.66 1.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.005 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.0 t60 60.8 42.39 13.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.941 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 61.02 83.01 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -151.51 157.92 42.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -68.49 145.59 53.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -138.7 121.04 17.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.9 tp -107.93 129.33 55.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.961 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 mt -125.55 137.19 53.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 t -167.96 168.81 11.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 61.36 39.36 15.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.6 mt -109.94 159.62 17.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.6 t -160.47 113.69 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 60.13 30.03 19.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.018 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.2 t -97.71 146.21 25.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.13 128.85 56.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.69 130.34 56.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.12 100.01 4.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.3 mt -86.95 156.84 19.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -144.29 100.2 3.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 167.71 -119.4 0.84 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.552 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -168.17 84.93 0.73 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.735 0.303 . . . . 0.0 110.833 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.7 -179.92 3.7 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.524 2.15 . . . . 0.0 112.325 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.99 -62.83 1.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.4 106.92 5.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 59.4 tp -83.07 144.79 29.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -147.94 124.74 11.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.2 tp -128.01 121.89 30.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.8 p -144.49 158.72 43.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.998 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.5 mtmm 60.15 39.93 18.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -113.84 139.3 49.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.059 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -138.0 126.65 23.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.8 m 58.33 27.02 14.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.052 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 22.0 m -103.96 158.26 16.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -125.46 123.56 39.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.2 tp -122.14 132.24 54.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.8 mt -136.35 123.17 21.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.812 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 41.9 t -145.11 156.19 43.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.033 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.46 -179.91 19.58 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.53 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -62.27 109.92 0.94 Allowed 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.684 2.256 . . . . 0.0 112.164 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.8 p -62.67 158.49 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.116 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.0 t -67.16 -53.55 29.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.956 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.08 -76.85 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.99 -179.93 3.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.94 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.5 t -122.94 159.11 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -125.38 157.92 35.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.9 tp -151.84 123.76 8.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.822 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -146.6 141.65 27.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.054 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.8 35.23 19.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.7 m -104.84 135.01 47.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.7 m -145.19 134.15 22.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 60.02 29.72 19.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.66 168.65 9.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -128.01 89.96 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.045 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 23.8 tp -87.44 139.56 30.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -153.19 103.5 2.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.04 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.9 p -166.57 116.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.94 139.51 58.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.042 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 6.0 p -163.71 177.52 8.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -90.92 -30.91 16.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.983 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -138.03 146.92 43.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 18.7 tp -140.0 117.37 11.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -105.54 116.2 31.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 6.9 mt -120.43 137.04 55.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.416 ' CD2' ' HB3' ' A' ' 109' ' ' GLU . 75.7 m80 -148.41 143.16 26.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.88 30.04 15.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 56.0 m -104.01 141.4 36.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.29 140.74 17.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.3 t0 60.7 30.25 19.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.9 m -115.91 120.72 40.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.403 ' HB3' ' CE1' ' A' ' 99' ' ' PHE . 91.6 mtt180 -87.61 121.11 29.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.6 mp -116.03 112.6 40.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.076 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.403 ' CE1' ' HB3' ' A' ' 97' ' ' ARG . 16.4 m-85 -105.5 102.0 11.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.402 ' CD2' ' N ' ' A' ' 100' ' ' LEU . 2.1 pt? -149.36 172.61 14.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.83 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -120.1 95.13 4.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 9.1 m -74.04 131.22 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 76.9 p -100.27 -31.33 11.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.938 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.53 -69.96 0.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -178.14 155.96 0.98 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -112.56 136.67 51.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 31.3 mt -105.21 139.16 27.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.129 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 16.8 m -144.74 147.88 18.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.416 ' HB3' ' CD2' ' A' ' 91' ' ' HIS . 1.8 tm-20 -168.52 141.05 2.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 61.34 29.89 18.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 84.5 m -106.81 173.98 6.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.974 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.5 m -169.98 118.84 0.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.09 38.97 17.32 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.529 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.415 HG23 ' CE1' ' A' ' 116' ' ' PHE . 25.8 mm -86.87 142.99 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.368 . . . . 0.0 111.078 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -114.54 122.47 46.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.415 ' CE1' HG23 ' A' ' 114' ' ' ILE . 40.2 m-85 -112.99 109.17 18.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -126.74 155.2 75.52 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.422 ' HG3' ' CE2' ' A' ' 142' ' ' TRP . 52.4 Cg_exo -54.71 161.49 5.97 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.634 2.222 . . . . 0.0 112.246 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -71.35 122.82 20.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 17.8 p -133.29 102.97 5.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -174.16 131.23 0.39 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.4 t 60.9 -173.63 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.418 ' CB ' ' HD3' ' A' ' 124' ' ' PRO . 0.1 OUTLIER -179.71 -52.81 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.978 179.896 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.418 ' HD3' ' CB ' ' A' ' 123' ' ' TYR . 38.2 Cg_exo -60.33 -32.41 94.06 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.38 2.053 . . . . 0.0 112.285 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -133.35 52.37 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 5.9 tp -109.92 -36.28 2.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -62.97 -30.4 71.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -67.11 -31.78 72.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -70.86 -50.0 40.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -60.8 -31.75 71.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -77.33 -37.25 52.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 74.2 m -63.36 -55.38 24.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.2 -42.01 97.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 102.09 28.6 6.44 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.568 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 8.6 mt -91.95 179.6 5.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.756 0.313 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.19 144.63 32.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 52.7 mtm180 -101.13 -38.61 8.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 67.4 m -86.93 -40.09 15.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.04 90.43 3.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -158.52 157.41 32.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.813 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -149.73 100.91 3.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' TRP . . . . . 0.422 ' CE2' ' HG3' ' A' ' 118' ' ' PRO . 57.3 p-90 -100.51 30.54 3.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -135.03 31.71 3.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -163.82 105.94 0.94 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 28.6 m -125.08 169.42 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -102.39 115.69 31.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -92.6 147.91 22.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 17.7 m . . . . . 0 CA--C 1.528 0.104 0 CA-C-O 120.697 0.284 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -68.68 65.0 1.23 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.542 2.161 . . . . 0.0 112.281 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -135.88 -48.93 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.799 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 66.8 p-90 -117.49 134.06 55.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 7.3 m -112.99 179.97 3.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 32.9 mt -117.68 139.57 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 14.6 tp -68.52 137.63 90.97 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.824 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -69.1 -174.79 0.83 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.457 2.104 . . . . 0.0 112.25 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -102.07 31.61 3.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -113.18 -36.64 4.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -113.3 34.63 4.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -62.16 1.73 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -77.25 113.41 14.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.941 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -101.25 131.53 47.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.824 0.345 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.55 171.27 20.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 62.99 32.94 15.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.7 mt -123.45 172.82 8.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -169.86 135.39 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.5 p 58.53 34.39 23.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.988 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -110.31 171.5 7.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.29 103.09 10.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.042 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.9 mt -92.57 170.36 9.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -168.63 134.56 1.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -136.19 167.37 21.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.16 175.82 10.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.5 -41.41 89.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.189 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.6 t -62.01 -31.34 71.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -88.55 -37.98 15.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.947 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mt -86.08 -70.62 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 61.47 50.43 4.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 60.31 80.08 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.963 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -144.47 169.04 18.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -76.37 132.33 39.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -122.34 129.12 75.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 29.4 tp -131.79 133.76 45.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mt -134.27 113.06 11.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.5 t -145.67 166.73 24.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 60.23 34.95 20.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.9 mt -119.87 150.99 39.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.974 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.3 125.04 12.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.863 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 60.79 31.07 20.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 24.3 t -110.18 117.86 34.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.1 m -87.51 145.58 26.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -135.49 135.86 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.129 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.8 mtp85 -128.86 109.81 11.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 mt -109.16 136.24 48.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -133.5 102.21 5.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 172.09 -109.46 0.31 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.534 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -176.2 66.19 0.23 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.869 0.366 . . . . 0.0 110.841 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.5 167.07 0.62 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.63 2.22 . . . . 0.0 112.299 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -77.78 -62.7 1.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -144.7 110.76 5.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.849 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.5 tp -72.6 153.54 41.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.0 ttm-85 -159.11 118.99 3.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.6 tp -126.33 125.09 41.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.751 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.8 p -148.0 154.37 40.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.977 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.7 mmtt 59.34 35.73 23.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.966 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.09 142.51 35.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.059 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -144.86 127.64 16.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.5 m 58.79 30.24 19.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.033 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.2 m -113.12 141.27 47.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -105.58 129.31 53.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.8 tp -120.01 128.03 53.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mt -138.69 120.68 15.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.811 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.0 p -155.01 163.27 40.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.48 -179.97 24.34 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.439 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.404 ' HG3' ' CD1' ' A' ' 130' ' ' PHE . 22.7 Cg_endo -61.23 126.33 19.12 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.621 2.214 . . . . 0.0 112.274 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.7 p -67.96 149.05 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.133 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 m -60.27 -52.88 63.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.1 -78.79 0.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.79 179.97 7.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.7 t -121.88 158.66 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -134.89 131.38 37.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.8 tp -122.38 140.3 52.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.803 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -164.12 136.16 4.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.978 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.27 40.05 9.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 53.4 m -113.74 135.93 53.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.8 p -146.99 136.54 22.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.792 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 60.03 37.07 21.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.75 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -114.82 156.77 24.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.78 89.96 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.023 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.4 tp -84.34 150.31 25.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.006 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -155.18 102.26 2.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.962 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.1 p -164.23 119.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.159 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.91 107.39 4.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.175 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 24.8 p -128.83 147.87 50.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -59.14 -44.62 92.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -131.03 146.86 52.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.3 tp -130.46 129.29 42.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.26 111.1 17.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.5 mt -110.2 155.13 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.036 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -167.94 140.24 3.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.3 m 57.29 31.06 19.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 30.5 m -102.89 139.94 37.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.963 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 46.4 tttm -146.75 128.16 14.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.01 39.07 20.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.0 m -113.88 113.18 24.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 51.5 mtt85 -80.0 125.52 29.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.7 mp -123.49 112.57 33.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.18 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -105.77 92.04 4.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -134.6 175.77 9.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.992 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -126.94 89.93 3.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.793 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 8.9 m -77.82 135.87 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 17.2 p -105.69 -31.58 8.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.01 -72.81 0.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -173.3 170.84 4.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -131.93 143.57 50.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.012 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 6.7 mt -119.54 149.65 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 17.2 m -146.8 117.56 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.401 ' OE2' ' CD2' ' A' ' 148' ' ' PHE . 9.8 mt-10 -125.41 129.31 49.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.3 t70 61.12 31.53 19.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 21.9 m -104.31 166.49 10.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.97 143.03 2.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 61.61 34.33 88.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.543 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 28.6 mm -85.36 140.9 15.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 0.0 111.102 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.4 111.81 22.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -96.24 151.61 19.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -168.47 154.9 6.96 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.92 177.23 5.9 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.547 2.164 . . . . 0.0 112.266 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -80.0 103.64 10.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 7.2 t -96.76 41.23 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -131.25 130.65 43.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.9 t -136.83 156.44 48.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -153.73 165.39 17.92 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.39 -28.31 53.05 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.552 2.168 . . . . 0.0 112.284 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -125.24 63.91 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 9.4 tp -95.48 -30.69 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -73.93 -21.42 60.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.176 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -75.15 -32.27 61.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.863 0.363 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -65.71 -44.9 84.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.404 ' CD1' ' HG3' ' A' ' 66' ' ' PRO . 5.9 m-85 -67.81 -31.16 70.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -74.05 -39.13 63.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.3 m -60.19 -45.37 93.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 58.8 p -81.54 -31.11 32.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 99.37 28.27 7.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.5 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 85.9 mt -94.66 156.86 16.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.828 0.347 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -100.5 157.03 16.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.35 -32.17 10.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.72 -46.77 88.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -60.42 122.55 14.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -142.37 85.89 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.923 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -113.55 84.33 2.0 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 38.3 p-90 -105.97 35.07 3.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -126.47 -43.04 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -56.62 108.76 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.113 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 9.5 p -143.32 146.34 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -105.43 121.29 43.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.05 125.04 44.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.401 ' CD2' ' OE2' ' A' ' 109' ' ' GLU . 34.5 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.619 0.247 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -68.75 63.54 1.26 Allowed 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.478 2.119 . . . . 0.0 112.343 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -135.84 -47.19 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 14.9 p-90 -120.86 144.59 48.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.796 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -138.27 155.28 48.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.99 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 7.1 mt -91.38 146.57 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.992 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 2.2 tt -75.08 133.86 75.01 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.58 154.51 35.26 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.523 2.148 . . . . 0.0 112.363 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 19.9 mp0 -65.86 -30.17 70.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -67.04 -27.44 67.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.038 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -104.77 28.74 6.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.145 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -105.91 32.86 4.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.978 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -101.08 88.45 3.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 21.4 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.073 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -139.28 115.06 10.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 0.0 110.847 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.4 m -143.11 169.43 17.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 61.29 31.32 19.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.5 mt -112.72 157.23 21.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -158.35 132.52 7.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.1 m 60.35 35.95 20.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -116.04 169.05 9.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.6 t -129.05 110.98 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.0 mt -108.9 142.76 39.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.35 134.28 29.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -126.69 161.19 28.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -123.7 172.98 8.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.27 -30.57 71.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.138 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.56 -31.75 63.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -74.06 -35.8 64.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mp -95.19 -70.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 60.61 50.04 6.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.97 89.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 -155.65 170.1 22.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -75.18 133.18 41.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.8 t -128.77 148.06 33.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.188 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.0 tp -142.19 132.59 25.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.4 mt -142.57 112.76 7.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.7 t -143.62 169.97 16.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 61.04 39.14 16.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 75.9 mt -107.64 145.54 33.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.1 m -145.58 114.72 7.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 61.62 30.99 18.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.1 t -101.77 134.3 45.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.4 m -102.86 127.72 49.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.4 t -132.74 141.21 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.5 mtt-85 -132.57 104.18 6.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 53.5 mt -90.57 125.69 35.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -121.92 109.35 14.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 155.07 -114.68 0.62 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.435 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -175.95 79.1 0.29 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.331 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -56.26 -173.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.57 2.18 . . . . 0.0 112.331 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -105.41 -47.26 3.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.34 99.99 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 46.5 tp -77.19 140.68 40.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.14 111.16 5.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.9 tp -116.31 132.24 56.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.8 p -152.79 155.35 36.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.964 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.71 36.87 22.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.52 142.23 34.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -143.74 120.57 11.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.5 m 59.69 29.52 19.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.963 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 59.3 m -105.87 152.75 22.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -117.9 126.96 53.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.836 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.5 tp -125.29 113.31 17.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.8 mt -115.73 104.89 12.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.776 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 51.2 t -131.85 153.56 50.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.038 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.76 -179.83 36.5 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.458 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -56.9 109.78 0.5 Allowed 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.666 2.244 . . . . 0.0 112.086 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.5 p -57.38 158.14 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.186 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.8 t -63.7 -54.21 39.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -104.78 -76.63 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.67 -179.98 7.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.947 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.3 t -124.67 158.66 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -132.75 139.89 47.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.9 tp -130.28 143.13 50.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -165.03 140.46 5.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 62.2 39.07 13.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 65.4 m -112.0 132.48 54.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.2 m -141.94 134.0 27.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.961 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 60.68 35.78 19.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -109.67 175.42 5.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.6 t -143.6 89.99 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.123 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.2 tp -88.08 139.22 30.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -141.92 98.69 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.8 p -165.98 130.62 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.038 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.71 144.54 50.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.066 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.0 p -166.38 142.53 4.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -55.63 -52.29 64.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.83 141.6 51.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.3 tp -121.52 131.42 54.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -118.13 126.21 51.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 22.4 mt -127.19 155.08 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.086 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.411 ' CD2' ' HB2' ' A' ' 109' ' ' GLU . 2.9 t-80 -165.13 134.47 3.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.981 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.5 m 59.71 31.57 20.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.927 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 28.2 m -105.68 141.21 37.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.58 139.28 13.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 59.74 31.47 20.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 11.8 m -115.57 128.06 55.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 65.9 mtt-85 -83.35 148.47 27.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 15.4 mt -150.44 115.51 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.159 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -112.95 99.96 8.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -143.34 -179.97 6.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -134.86 99.87 4.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.767 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 10.3 m -93.52 136.67 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.29 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 60.4 p -96.78 -33.42 11.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.86 -75.96 0.35 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.4 ptt-85 -177.84 171.17 1.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -125.33 145.18 50.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.971 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 26.0 mt -121.59 150.44 24.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.243 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.5 m -148.25 139.97 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.411 ' HB2' ' CD2' ' A' ' 91' ' ' HIS . 21.7 mt-10 -136.04 129.17 31.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.963 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.17 32.7 22.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 66.1 m -100.48 157.15 16.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 42.4 m -159.94 126.63 4.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.64 36.15 54.22 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.508 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 28.8 mm -81.95 158.75 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.853 0.359 . . . . 0.0 111.088 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.24 132.67 56.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -130.79 100.17 5.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.8 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -127.48 155.1 77.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.43 175.14 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.568 2.179 . . . . 0.0 112.308 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -84.9 116.83 23.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 58.1 p -104.59 97.27 7.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -176.71 97.08 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.18 159.06 15.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.437 ' CG ' ' HD2' ' A' ' 124' ' ' PRO . 0.0 OUTLIER -179.84 148.9 0.5 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.437 ' HD2' ' CG ' ' A' ' 123' ' ' TYR . 30.4 Cg_endo -63.48 -27.16 70.22 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.529 2.153 . . . . 0.0 112.266 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -110.87 36.36 3.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.832 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 3.9 tp -83.42 -35.21 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.81 -32.21 59.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -44.35 90.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.24 -41.82 99.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -59.75 -32.41 70.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -71.88 -47.12 55.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.6 m -60.41 -31.39 70.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 5.9 p -76.14 -52.57 9.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 112.69 27.78 3.69 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.466 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 87.3 mt -111.17 161.77 15.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.814 0.34 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -118.01 154.15 32.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -117.36 29.73 7.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.7 t -121.62 25.73 9.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.055 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -120.31 -67.05 1.01 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.822 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 35.6 m120 60.91 112.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.989 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -146.17 54.1 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.837 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 36.9 p-90 -99.48 30.78 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.807 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -119.1 -41.19 2.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.71 129.1 34.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 15.5 m -142.79 176.94 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -125.28 112.87 16.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -72.6 164.32 26.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.956 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 CA--C 1.528 0.12 0 CA-C-O 120.676 0.274 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.61 -7.14 20.6 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.55 2.167 . . . . 0.0 112.729 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -52.89 -30.47 34.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.762 0.315 . . . . 0.0 111.097 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 30.3 p-90 -148.9 129.05 13.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.74 143.42 50.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 31.5 mt -92.04 138.23 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 4.9 tp -76.29 134.97 69.86 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.2 177.11 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.465 2.11 . . . . 0.0 112.213 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -98.44 28.71 3.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -115.92 -35.65 4.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -97.49 35.51 1.63 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -89.39 -31.15 17.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -70.04 97.25 1.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 4.1 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.052 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.392 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -102.73 115.6 30.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.3 p -142.27 174.55 10.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 60.53 31.1 20.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 mt -113.48 149.47 34.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.2 mp0 -154.26 129.49 9.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.2 m 60.8 38.17 18.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -119.96 171.44 8.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.6 t -122.1 103.77 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.085 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.1 mt -101.83 142.39 33.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -141.85 147.99 38.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -133.96 176.63 8.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.979 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.23 159.82 42.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.72 -35.32 79.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.7 t -60.33 -33.2 72.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.94 -44.7 10.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.9 mt -67.6 -60.7 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 60.44 45.21 11.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 61.27 80.74 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.2 mtt85 -149.77 158.51 44.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -63.17 148.99 46.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.06 128.32 71.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 tp -116.51 122.66 45.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.4 mt -138.84 111.77 7.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.7 t -150.18 173.86 13.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 60.3 37.48 20.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.955 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 38.1 mt -110.69 149.01 31.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 m -149.53 119.22 7.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 59.45 29.65 19.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.004 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 51.3 t -109.1 149.51 29.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 p -109.91 141.06 43.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.0 t -143.37 136.7 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -138.98 103.72 4.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.2 mt -87.9 140.02 29.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -124.6 135.39 53.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 129.23 -112.8 1.41 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.457 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -176.5 85.87 0.27 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 120.747 0.308 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.56 171.57 15.08 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.573 2.182 . . . . 0.0 112.308 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -88.01 -48.75 7.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.6 117.71 8.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.5 tp -95.17 123.78 38.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.788 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -125.73 126.52 44.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.1 tp -132.07 120.99 23.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.821 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.5 p -146.52 157.3 43.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.944 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt 60.25 37.94 20.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.79 140.61 36.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.057 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -141.61 119.69 12.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.6 m 59.32 27.19 16.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.078 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 13.8 m -106.88 159.09 16.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -124.08 149.98 45.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.817 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.4 tp -141.72 127.71 19.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.5 mt -131.52 99.99 5.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.737 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 53.0 t -124.37 156.26 37.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.07 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.31 -179.73 34.68 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.448 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.412 ' HG3' ' CE1' ' A' ' 130' ' ' PHE . 12.2 Cg_endo -55.76 111.75 0.86 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.643 2.229 . . . . 0.0 112.19 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.1 p -61.69 158.72 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.113 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.7 t -70.39 -51.89 26.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.32 -76.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.27 178.52 7.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.8 t -120.48 141.29 41.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.008 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -117.45 123.85 47.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.978 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.43 133.81 54.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -155.58 142.76 19.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 61.02 39.8 15.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.946 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 49.4 m -112.02 135.03 53.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.57 138.1 28.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.974 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 59.28 29.27 18.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 69.7 m -106.32 157.38 17.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.4 t -125.05 89.94 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.964 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 tp -83.84 150.18 25.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -152.61 99.1 2.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.093 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.0 p -169.14 128.96 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.96 141.63 40.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.5 p -153.82 167.15 30.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.15 -31.87 38.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -150.31 130.79 13.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 34.2 tp -103.54 144.04 31.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.947 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -128.56 104.92 7.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 9.6 mt -109.33 147.64 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.064 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -160.32 130.96 5.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.975 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 m 59.77 31.68 20.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.5 m -101.67 149.09 24.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.25 131.76 5.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 59.2 35.78 23.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 60.4 m -113.36 111.87 22.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -69.91 121.2 16.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 22.9 mt -125.5 104.3 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -98.51 108.15 20.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -151.97 179.97 8.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -138.48 90.06 2.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.807 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 16.6 m -80.52 144.31 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 75.6 p -107.68 -29.46 9.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.7 m -93.9 -76.75 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.1 mtt85 -166.33 172.7 10.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.963 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -134.69 113.25 11.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.039 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.414 HG23 ' CE1' ' A' ' 148' ' ' PHE . 2.7 mp -81.88 139.04 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.0 m -145.33 122.0 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.086 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -125.64 131.99 52.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.85 31.41 21.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 62.5 m -96.16 148.94 22.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.24 134.37 11.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.923 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.41 36.03 92.69 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.559 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.405 HD12 HG23 ' A' ' 114' ' ' ILE . 28.1 mm -78.24 138.99 19.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.847 0.356 . . . . 0.0 111.05 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.84 100.38 11.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.837 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -96.9 133.08 42.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -156.97 158.45 31.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.48 150.79 70.34 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.503 2.135 . . . . 0.0 112.338 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -60.24 148.12 37.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 29.7 m -143.11 91.48 2.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -175.26 98.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.4 m -104.42 146.81 28.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.958 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.421 ' CG ' ' HD2' ' A' ' 124' ' ' PRO . 0.2 OUTLIER -132.5 161.06 65.52 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.757 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 123' ' ' TYR . 41.5 Cg_endo -67.59 -26.93 39.4 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.589 2.193 . . . . 0.0 112.211 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -127.29 39.65 3.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.784 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 2.5 tt -83.13 -26.93 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.196 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.56 -30.42 60.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.09 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -78.58 -31.07 47.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.794 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.66 -49.85 67.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.412 ' CE1' ' HG3' ' A' ' 66' ' ' PRO . 7.0 m-85 -62.77 -32.48 73.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -70.11 -46.03 65.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.2 m -65.64 -35.84 81.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.2 p -76.95 -31.92 56.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.86 28.45 38.06 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.521 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 12.5 mt -79.23 -178.72 6.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.78 0.324 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.65 147.66 43.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -132.56 46.46 2.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.755 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 7.6 t -152.61 -44.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.03 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -50.9 -75.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.168 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 6.6 m120 59.79 109.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -151.9 34.79 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 59.5 p-90 -59.09 -28.66 66.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.032 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -60.06 -32.61 71.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.938 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.94 126.2 33.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 7.2 m -143.93 144.44 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -92.62 119.37 31.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -98.76 120.99 40.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.414 ' CE1' HG23 ' A' ' 107' ' ' ILE . 38.6 m-85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 31.4 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.605 0.241 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -68.67 63.64 1.23 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.517 2.145 . . . . 0.0 112.283 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -100.22 -59.54 1.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 47.5 p-90 -99.52 173.73 6.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.788 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.62 158.81 43.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.949 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 23.0 mt -103.86 152.52 6.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.07 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 27.3 tp -87.03 115.59 63.12 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.11 -175.3 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.371 2.047 . . . . 0.0 112.339 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.49 63.04 2.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.813 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -153.37 -44.58 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -98.0 31.03 2.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -88.83 -28.61 20.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.939 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -80.18 107.2 12.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 3.1 mp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.949 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -117.38 150.24 39.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.799 0.333 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 72.1 p -169.44 167.83 9.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.0 m120 60.76 34.12 19.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.5 mt -116.33 141.5 48.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -142.01 133.6 26.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.7 m 59.83 31.54 20.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -108.83 172.16 7.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.05 109.57 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.5 mt -99.58 142.56 30.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -139.49 137.01 35.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -140.98 150.68 43.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -121.95 179.98 4.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.62 -35.5 72.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.57 -34.74 67.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.32 -30.71 54.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.7 mt -84.0 -59.81 2.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 64.87 31.76 11.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.734 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 62.0 77.62 0.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.948 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.42 177.28 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.93 137.4 36.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.959 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -120.66 106.43 18.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.082 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.0 tp -93.34 124.92 37.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.4 mt -136.95 107.68 6.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.0 t -148.35 168.14 23.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.963 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 60.0 39.38 20.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -111.04 173.53 6.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.2 m -170.0 113.8 0.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 63.21 35.77 12.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.5 t -109.5 120.17 41.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.29 141.48 30.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.6 t -140.1 126.63 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -128.16 99.94 5.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.5 mt -93.61 155.29 17.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -139.75 112.65 8.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 143.82 -132.67 5.01 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.536 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -152.2 86.32 4.46 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 120.7 0.286 . . . . 0.0 110.846 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.02 156.75 61.92 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.577 2.185 . . . . 0.0 112.261 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.81 -67.84 0.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.9 m -136.9 120.45 17.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 23.4 tp -91.5 130.87 37.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.0 131.16 36.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.8 tp -143.32 113.94 7.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.6 p -137.96 155.41 48.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.27 31.49 19.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.975 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.89 148.75 22.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -142.07 118.17 10.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 75.4 m 59.62 28.45 17.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.975 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 36.1 m -103.04 137.46 41.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -103.8 156.12 18.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.5 tp -154.64 119.01 4.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.944 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.403 ' HB3' ' CZ2' ' A' ' 121' ' ' TRP . 98.2 mt -126.83 99.98 5.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 53.8 t -131.62 156.24 46.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.951 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.9 -179.86 7.6 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.54 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.1 122.35 11.56 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.641 2.228 . . . . 0.0 112.297 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.5 p -64.78 159.07 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 m -74.04 -51.93 14.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.1 p -100.16 -79.1 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.002 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.2 m -163.89 -179.93 6.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.1 t -130.67 142.05 44.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -116.94 164.04 15.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.6 tp -152.02 138.4 18.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.769 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -155.99 135.12 12.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.077 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.25 39.97 18.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.994 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.8 m -108.65 135.83 49.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.7 t -148.51 137.44 21.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 58.72 29.04 18.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.992 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 31.7 m -106.72 150.44 26.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.39 90.07 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.074 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.3 tt -100.96 123.97 45.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -130.17 110.07 11.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.7 m -160.48 128.93 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.71 133.18 42.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.032 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.7 p -153.3 165.43 35.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -81.12 -36.43 30.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -133.26 150.51 51.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.833 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 15.8 tp -125.59 148.65 48.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -140.43 119.19 12.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 27.3 mt -125.76 156.27 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -166.21 135.52 3.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.4 m 55.21 28.54 11.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.192 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 90.2 m -97.14 138.15 35.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.781 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -147.26 128.75 14.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.953 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.06 40.07 22.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.968 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.3 m -112.15 102.21 10.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.956 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -66.06 127.23 31.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.807 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.5 mt -129.05 124.84 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.154 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.451 ' CD2' ' CB ' ' A' ' 117' ' ' ALA . 12.5 m-85 -113.65 89.95 3.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.71 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -131.1 178.9 6.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.075 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -138.81 89.98 2.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.723 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 15.1 m -74.0 136.12 26.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.174 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 52.8 p -95.35 -31.4 13.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.86 -78.52 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.1 -179.98 8.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -141.27 144.91 34.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.999 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 23.4 mt -110.88 145.44 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.203 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.8 m -155.91 126.97 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -141.01 143.61 34.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 59.9 30.7 20.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 19.6 m -108.47 160.52 15.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.76 124.53 3.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.94 30.64 42.16 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.528 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 26.6 mm -81.97 133.24 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.792 0.329 . . . . 0.0 111.192 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -109.29 116.35 31.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -99.0 107.44 19.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.451 ' CB ' ' CD2' ' A' ' 99' ' ' PHE . . . -110.21 152.11 42.98 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.135 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.72 152.54 58.91 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.655 2.237 . . . . 0.0 112.344 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -94.96 99.97 11.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.803 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 4.3 p -114.94 30.83 7.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.981 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.403 ' CZ2' ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -79.43 81.85 5.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.765 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 39.2 m -82.3 162.24 22.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.429 ' CD2' ' HD2' ' A' ' 124' ' ' PRO . 0.2 OUTLIER -151.74 148.73 22.36 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.777 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.429 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 77.0 Cg_exo -50.12 -27.8 18.01 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.55 2.166 . . . . 0.0 112.31 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -135.34 62.25 1.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.686 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -103.88 -21.68 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.36 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -52.98 -30.82 37.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.057 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -77.3 -31.07 54.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.827 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.74 -55.61 21.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -64.81 -41.13 96.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -60.11 -42.4 94.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 73.2 m -60.91 -50.94 71.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 91.9 p -69.05 -40.39 78.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 94.96 30.9 8.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.504 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 30.1 mt -98.99 175.04 6.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -115.16 150.72 35.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.8 -35.47 9.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 9.3 t -69.07 -52.32 29.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 15.5 mmtt -59.81 124.44 20.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.807 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -142.02 139.03 32.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.982 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -135.23 25.71 3.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.0 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 13.6 p-90 -63.85 -29.91 71.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.959 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -62.06 -50.7 70.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -82.68 138.75 34.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 21.5 t -146.41 132.3 13.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.118 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -77.48 138.34 39.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -125.35 169.38 12.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.947 -179.938 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 75.7 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.697 0.284 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.71 62.5 2.3 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.534 2.156 . . . . 0.0 112.327 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -112.49 -43.42 3.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.818 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 57.8 p-90 -109.42 173.48 6.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.73 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -151.01 164.69 35.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 23.8 mt -107.06 125.47 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.031 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 6.6 tp -60.41 135.51 91.57 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.15 -169.81 0.43 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.503 2.135 . . . . 0.0 112.261 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -91.46 -31.62 15.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -65.97 -30.65 71.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -90.38 -28.13 18.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.013 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.96 -30.77 64.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.959 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -71.23 87.25 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 5.9 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.053 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -143.74 142.77 31.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.886 0.374 . . . . 0.0 110.821 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.6 p -166.19 170.28 13.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 61.73 33.04 18.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.4 mt -114.13 156.82 23.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -153.6 137.97 16.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.06 36.78 21.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -130.17 170.83 13.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.57 120.19 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.8 mt -100.61 151.08 22.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -144.25 149.4 36.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -154.29 161.7 41.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -135.68 176.49 8.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.07 -31.0 71.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.143 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -68.79 -33.68 74.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -85.74 -39.37 17.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.5 mt -74.61 -66.18 0.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.956 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 60.57 42.67 13.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 61.85 74.66 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.93 176.99 8.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -92.77 122.27 35.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.6 t -93.71 119.01 40.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.8 tp -116.88 104.66 11.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 55.7 mt -122.38 110.42 15.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.2 t -141.45 169.29 17.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 60.31 39.71 18.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.3 mt -118.35 149.19 41.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 m -146.81 121.41 9.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.836 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 60.64 34.46 20.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.7 t -112.95 118.1 33.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.9 m -75.81 140.34 42.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.59 122.47 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -127.11 99.99 5.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.8 mt -99.09 162.79 12.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -145.64 140.14 27.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.82 -138.54 11.84 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -147.33 79.15 9.87 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.683 0.278 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.66 -179.66 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.59 2.194 . . . . 0.0 112.294 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -100.67 -46.54 5.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -155.31 99.96 2.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.2 tp -71.66 144.12 49.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -148.46 134.97 19.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.3 tp -142.06 123.02 14.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.0 p -145.85 158.57 43.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm 59.77 30.85 20.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.86 161.39 13.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.057 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -165.68 121.79 1.35 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.6 m 60.27 31.36 20.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.988 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 34.1 m -111.4 149.36 31.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -113.3 124.28 52.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.8 tp -114.3 126.56 55.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.4 mt -134.95 103.64 5.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 52.7 t -134.9 156.26 49.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.006 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.57 -179.84 9.02 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.414 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -60.69 121.73 10.17 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.607 2.205 . . . . 0.0 112.237 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.2 p -70.54 158.56 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.28 -54.73 32.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 p -106.57 -75.25 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.2 m -161.97 -179.97 7.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.7 t -115.68 157.45 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.412 ' CE1' ' HD2' ' A' ' 89' ' ' ARG . 0.4 OUTLIER -120.35 139.53 52.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.8 tp -138.68 123.97 19.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -149.28 138.67 21.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 61.9 37.37 15.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 28.8 m -106.52 140.3 39.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.0 t -152.59 134.67 14.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.973 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 60.49 38.12 19.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 42.1 m -116.5 167.47 11.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 20.3 t -132.66 90.72 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.054 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.58 123.89 32.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -127.13 98.38 5.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.7 p -157.86 124.64 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.95 147.18 43.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 23.0 p -169.38 -179.94 3.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -94.81 -31.7 13.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.15 161.63 36.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.826 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 20.7 tp -143.01 151.0 40.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.412 ' HD2' ' CE1' ' A' ' 72' ' ' PHE . 3.5 mtt180 -140.59 122.8 15.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.7 mt -127.57 158.31 39.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.03 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -168.61 138.92 2.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 59.32 30.41 20.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 49.0 m -104.95 135.11 46.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.4 ttpp -143.12 131.21 21.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.2 t0 59.84 39.4 20.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 23.2 m -111.05 142.05 43.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.5 mtm-85 -99.91 136.64 39.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 19.9 mt -137.94 108.95 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.066 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.418 ' CZ ' HD23 ' A' ' 163' ' ' LEU . 7.4 m-85 -106.87 95.8 5.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.935 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -141.43 170.78 15.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -123.34 90.0 3.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.849 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 8.7 m -76.83 120.78 27.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.178 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 28.3 p -77.57 -31.24 52.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.2 m -101.7 -75.25 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.2 165.38 2.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -110.0 179.26 4.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 23.9 mt -148.64 139.15 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.4 m -137.7 146.52 27.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -149.18 129.27 13.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.44 33.13 20.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 70.9 m -102.35 170.13 8.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -170.0 122.29 0.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.65 32.93 39.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.518 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 27.0 mm -79.84 153.71 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.819 0.342 . . . . 0.0 111.072 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -120.84 115.08 22.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -102.71 123.79 47.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -142.08 158.61 61.3 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.031 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.09 164.19 35.78 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.616 2.211 . . . . 0.0 112.295 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -68.16 147.73 51.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 21.9 p -148.48 90.93 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -175.66 117.81 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.403 ' O ' ' CG ' ' A' ' 123' ' ' TYR . 3.7 m -130.86 177.29 7.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.022 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.403 ' CG ' ' O ' ' A' ' 122' ' ' SER . 3.6 m-85 -170.92 165.33 4.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.811 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -47.5 -45.82 22.07 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.676 2.25 . . . . 0.0 112.451 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -118.55 72.84 0.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.855 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 8.5 tp -93.1 -29.54 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.146 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.07 -40.46 85.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -31.96 69.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.59 -65.52 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.425 ' CD2' ' HD2' ' A' ' 137' ' ' ARG . 76.5 m-85 -59.21 -33.03 70.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -71.37 -34.95 70.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.3 m -69.15 -31.4 70.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 45.5 p -84.63 -45.38 12.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 108.49 31.71 3.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.7 mt -100.21 170.61 8.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 0.0 110.918 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.92 146.52 46.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . 0.425 ' HD2' ' CD2' ' A' ' 130' ' ' PHE . 9.0 mtp180 -115.15 31.35 6.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 14.0 m -127.09 19.59 7.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -146.8 101.05 3.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.25 142.36 32.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.985 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -155.37 39.58 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 33.9 p-90 -66.85 -32.49 73.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -63.89 -47.02 82.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.26 119.61 8.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.957 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 6.2 m -152.24 148.22 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -97.78 169.94 9.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -137.64 163.39 31.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.963 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.53 0.206 0 CA-C-O 120.529 0.204 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.41 -15.79 47.56 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.483 2.122 . . . . 0.0 112.504 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -50.06 -45.4 52.36 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.264 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -124.45 169.54 11.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.049 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 1.6 p -145.88 179.97 7.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 24.3 mt -113.41 138.29 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.418 HD23 ' CZ ' ' A' ' 99' ' ' PHE . 3.4 tp -68.03 128.56 93.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.25 171.43 0.39 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.461 2.108 . . . . 0.0 112.249 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -101.52 28.03 5.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -119.74 -37.81 3.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -96.39 37.89 1.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.974 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.38 -38.12 16.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -90.02 88.52 7.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.807 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 2.6 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.266 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -132.52 148.25 52.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.818 0.342 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.3 m -164.5 169.89 16.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 29.4 m120 60.75 39.9 16.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.1 mt -125.09 151.77 45.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -149.1 127.23 12.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.71 34.13 20.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -108.2 174.91 5.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.3 t -127.07 126.19 67.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.052 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.5 mt -120.21 142.93 48.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -142.71 140.85 31.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -141.22 146.72 37.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.25 178.79 4.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.77 -31.37 72.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.3 -34.26 67.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -76.76 -46.49 24.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mt -72.15 -73.76 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.2 t60 61.29 51.72 4.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 59.63 74.12 0.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.979 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.52 167.23 20.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.58 103.12 15.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.851 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.9 t -76.94 120.25 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.2 tp -111.91 134.44 53.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.0 mt -141.67 113.97 8.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.1 t -145.97 162.57 37.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 60.04 33.21 21.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 40.5 mt -110.77 141.52 43.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.3 m -150.68 123.61 8.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 60.52 37.35 19.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 49.1 t -117.2 141.85 47.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.0 m -94.47 131.52 40.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.6 t -127.27 128.21 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.6 mtp85 -128.26 144.32 51.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.0 mt -142.53 150.68 40.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -143.71 102.12 3.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 163.21 -132.78 2.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.445 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -160.73 83.66 1.99 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.714 0.292 . . . . 0.0 110.844 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.89 175.08 10.22 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.57 2.18 . . . . 0.0 112.304 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.75 -67.64 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.55 123.37 33.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 34.5 tp -99.14 131.83 44.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -143.21 137.17 28.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.958 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -139.37 118.01 12.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.6 p -136.37 159.66 41.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.028 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.65 37.51 25.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.014 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -108.48 135.14 50.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.131 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -135.79 121.4 19.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.3 m 60.7 27.93 17.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.963 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 61.0 m -103.16 169.25 8.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -135.63 146.09 47.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.5 tp -142.87 117.15 9.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.1 mt -120.54 101.27 7.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.797 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 38.4 t -129.84 157.13 43.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.026 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.9 -179.8 11.96 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.444 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.421 ' HG3' ' CD1' ' A' ' 130' ' ' PHE . 18.4 Cg_endo -58.93 117.52 4.25 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.583 2.189 . . . . 0.0 112.247 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.8 p -58.66 158.89 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.2 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.1 t -70.93 -52.17 21.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.42 -77.93 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.081 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.56 -179.94 8.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.983 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.0 t -124.77 159.8 30.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.085 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -130.73 156.44 44.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.2 tp -154.8 109.53 3.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -139.86 143.43 36.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.047 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.96 34.73 13.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 85.8 m -113.18 153.34 28.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.8 m -162.69 139.33 7.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.63 29.21 18.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 56.3 m -105.55 163.78 12.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -130.99 90.07 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.05 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 tp -83.11 143.58 30.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -139.65 98.28 3.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.3 p -167.72 136.89 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.32 142.36 27.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.03 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 27.6 p -154.84 -179.89 8.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.952 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -95.76 -34.14 12.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -139.58 133.15 30.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.847 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 16.1 tp -115.45 133.73 55.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.969 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.49 121.03 32.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.3 mt -120.42 153.74 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.051 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.418 ' CD2' ' HB3' ' A' ' 109' ' ' GLU . 19.1 m80 -159.96 130.38 5.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.1 m 58.25 32.23 21.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.109 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.6 m -107.43 143.3 35.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.824 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.01 143.54 19.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.7 t70 59.1 38.32 23.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 45.3 m -121.09 114.15 21.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 27.5 mtt85 -80.98 111.6 17.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 26.2 mt -111.03 115.49 50.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.251 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.403 ' CD2' ' HB1' ' A' ' 117' ' ' ALA . 13.4 m-85 -107.13 95.05 5.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.79 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -134.81 175.82 9.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -126.66 90.07 3.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.1 m -80.51 131.56 33.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.159 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 9.5 p -98.31 -30.71 12.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.03 -70.17 0.7 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.21 174.39 1.04 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -131.38 153.65 49.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.069 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 20.5 mt -131.3 146.8 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.178 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 5.5 m -144.73 116.15 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.103 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.418 ' HB3' ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -115.98 125.29 52.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 59.9 35.21 21.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 59.9 m -105.63 152.99 22.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.955 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 40.0 m -159.27 130.64 6.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.0 34.51 30.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.538 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 26.5 mm -93.21 156.87 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.796 0.332 . . . . 0.0 111.03 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.9 136.29 54.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -125.98 111.96 15.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.845 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.403 ' HB1' ' CD2' ' A' ' 99' ' ' PHE . . . -131.66 153.85 81.64 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.76 169.73 0.53 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.524 2.15 . . . . 0.0 112.257 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -98.9 144.29 28.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.2 p -165.67 118.87 1.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -175.19 139.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.87 -170.14 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.41 ' CB ' ' HD3' ' A' ' 124' ' ' PRO . 0.1 OUTLIER 178.05 -52.95 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.953 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.41 ' HD3' ' CB ' ' A' ' 123' ' ' TYR . 47.8 Cg_exo -56.13 -26.68 61.42 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.371 2.047 . . . . 0.0 112.421 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -138.38 48.19 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.142 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 18.1 tt -110.14 -32.05 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.072 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -58.58 -51.67 68.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.84 -31.08 71.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.41 -47.51 83.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.421 ' CD1' ' HG3' ' A' ' 66' ' ' PRO . 7.2 m-85 -67.99 -32.61 73.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.97 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -66.04 -35.11 79.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -46.79 88.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.7 p -81.2 -36.26 30.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 99.79 28.13 7.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.501 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 96.2 mt -89.41 161.06 16.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.03 144.95 39.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 63.1 mtm180 -98.24 29.06 3.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.5 m -121.93 -41.78 2.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.26 141.67 41.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.99 124.2 5.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.823 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.95 40.99 3.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 43.4 p-90 -69.03 -28.58 66.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.961 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -64.13 -45.69 87.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -67.38 132.55 47.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 21.4 t -146.8 140.18 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -95.91 111.27 23.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -92.41 162.0 14.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.939 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.584 0.23 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.47 94.02 0.37 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.445 2.097 . . . . 0.0 112.359 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -162.14 -62.95 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 35.0 p-90 -96.87 151.09 20.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 45.0 t -140.24 178.76 7.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 34.7 mm -112.2 158.55 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 6.2 tp -102.97 125.07 36.39 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.16 154.89 16.89 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.406 2.07 . . . . 0.0 112.341 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.69 -31.49 70.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -76.41 -22.55 54.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -95.91 29.74 2.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 111.064 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 26.5 mtp180 -107.92 29.31 7.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.021 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -113.29 102.12 10.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 2.1 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.154 -179.946 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.28 -63.43 1.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.825 0.345 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.86 170.67 15.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.65 -67.53 0.45 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.54 105.31 11.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.87 0.367 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.3 p -168.55 126.06 1.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.74 154.08 0.12 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.471 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.35 151.05 28.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.823 0.344 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -97.69 149.17 22.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.1 p -124.93 112.28 31.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -149.55 157.79 43.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.02 -149.12 6.47 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.533 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -143.77 122.45 12.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.7 p -146.16 174.64 11.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.1 m120 61.09 39.98 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 mt -126.9 153.73 45.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -147.14 129.26 15.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.96 37.05 21.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -114.74 165.14 13.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.4 t -124.2 136.69 59.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.7 mt -131.39 150.14 52.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -150.53 117.73 5.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -118.74 143.48 46.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.15 179.93 4.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.03 -43.72 91.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.036 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 m -62.2 -33.64 74.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -72.63 -59.35 2.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mt -63.07 -66.66 0.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.846 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 59.7 52.54 5.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 60.61 81.29 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -144.47 158.48 43.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -82.23 122.61 28.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.824 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.87 125.84 48.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.13 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 tp -113.27 112.95 24.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.6 mt -127.48 105.28 8.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.3 t -145.4 164.31 31.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 59.87 31.38 20.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.0 mt -105.88 170.86 7.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 m -169.95 123.27 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 61.3 30.31 19.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.803 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.4 t -107.79 125.55 51.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.99 130.86 44.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.6 t -131.06 115.34 29.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -107.49 101.74 11.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.959 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.4 mt -92.9 160.11 15.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -156.32 107.91 2.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 159.63 -120.1 0.94 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.555 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -169.21 82.3 0.67 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.721 0.296 . . . . 0.0 110.94 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.54 168.36 22.81 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.57 2.18 . . . . 0.0 112.277 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -77.56 -59.48 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.8 m -143.59 121.4 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.4 tp -92.83 145.54 24.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -145.97 124.24 12.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.946 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.7 tp -134.07 106.12 7.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.6 p -131.27 157.78 42.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 60.0 35.84 21.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.93 156.97 16.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.065 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -160.41 119.39 2.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 61.6 m 60.8 32.9 20.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 29.6 m -112.62 157.44 21.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.978 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -123.35 135.98 54.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.3 tp -128.97 125.4 37.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.953 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.413 ' HB3' ' CZ2' ' A' ' 121' ' ' TRP . 2.0 mt -133.6 110.12 9.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 44.5 t -144.73 152.3 40.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.011 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.2 -179.86 2.24 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.449 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.98 114.77 2.23 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.562 2.175 . . . . 0.0 112.153 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.5 p -57.59 158.48 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.3 t -72.38 -51.7 19.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 p -102.71 -79.04 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.963 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -163.97 179.92 6.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.826 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.4 t -126.47 158.99 36.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.008 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -128.01 151.47 49.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.966 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.0 tp -145.2 130.25 18.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 62.5 tt0 -157.53 141.13 15.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 61.67 36.65 16.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 92.8 m -111.33 143.5 42.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.7 t -153.25 134.98 14.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 60.95 37.98 17.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.018 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 59.7 m -117.28 165.94 12.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.23 100.19 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.17 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 tp -95.94 116.05 28.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.83 97.38 5.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.2 p -165.45 122.12 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.33 138.74 40.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 13.2 p -151.02 176.29 11.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -85.92 -31.09 22.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -147.98 135.21 20.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 26.8 tp -116.48 125.35 51.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -115.29 118.57 33.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.5 mt -120.96 158.45 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -168.3 133.62 1.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.78 35.2 19.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 63.6 m -107.92 149.15 28.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.4 pttt -157.57 134.43 10.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.949 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 59.01 31.11 21.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.8 m -111.62 101.65 10.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -67.6 136.49 54.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.725 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 18.5 mt -136.04 102.53 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.444 ' CD2' ' CB ' ' A' ' 117' ' ' ALA . 45.4 m-85 -97.08 107.42 19.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -151.2 -179.98 7.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -128.41 91.78 3.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 10.0 m -76.66 124.7 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.173 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.1 p -83.21 -33.01 26.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.39 -74.26 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.03 171.76 2.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.817 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -121.19 154.9 35.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.087 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.474 HG22 HD11 ' A' ' 107' ' ' ILE . 27.7 mm -124.46 137.83 55.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.4 m -135.83 143.39 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -150.43 127.02 10.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.13 37.23 20.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 60.3 m -115.86 150.58 36.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.0 m -148.0 132.16 17.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.2 29.07 51.85 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.462 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 23.7 mm -82.51 153.43 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.733 0.301 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -128.64 136.39 50.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -125.61 105.89 9.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.444 ' CB ' ' CD2' ' A' ' 99' ' ' PHE . . . -121.53 149.4 52.53 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.171 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.03 164.35 1.71 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.59 2.194 . . . . 0.0 112.327 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -86.57 106.56 17.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.822 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.4 t -120.65 106.78 12.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.413 ' CZ2' ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -158.64 124.94 4.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 35.6 m -104.97 154.44 20.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.427 ' CG ' ' HD2' ' A' ' 124' ' ' PRO . 0.3 OUTLIER -176.97 151.8 0.98 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 123' ' ' TYR . 66.2 Cg_exo -51.27 -26.87 21.47 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.624 2.216 . . . . 0.0 112.362 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -131.84 53.13 2.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 4.3 tp -95.97 -39.35 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.083 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.53 -38.95 71.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -68.76 -29.97 68.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -59.09 -44.87 91.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -61.66 -31.11 71.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -63.5 -34.35 77.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.0 m -60.19 -69.92 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -31.11 69.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.953 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 86.75 28.17 27.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.561 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 46.8 mt -84.11 157.79 21.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.787 0.327 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.36 132.2 35.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 5.8 ttt-85 -97.97 33.99 2.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.94 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 23.1 t -143.89 -70.28 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -63.44 123.55 19.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -163.11 127.21 2.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.01 74.98 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 43.3 p-90 -84.43 -29.18 26.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -68.3 -31.88 71.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.792 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.88 119.94 31.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.27 155.98 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.181 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.18 130.4 45.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.964 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -109.02 163.58 13.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -151.18 65.16 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -173.4 83.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -128.31 124.5 36.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.0 -67.14 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.956 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -114.35 96.56 5.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.079 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -176.85 -58.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 61.22 38.05 16.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 16.1 tpp -152.84 -69.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -153.42 143.33 22.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 21.4 m -77.64 111.44 17.56 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -72.68 61.7 3.68 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.362 2.042 . . . . 0.0 112.348 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -107.62 -58.66 1.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.977 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 34.8 p-90 -103.87 154.83 19.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 42.6 t -148.27 178.84 8.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 27.4 mm -115.55 152.89 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 10.3 tp -96.93 138.42 21.31 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.94 179.87 2.99 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.481 2.121 . . . . 0.0 112.264 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -96.38 41.82 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -122.6 -42.17 2.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -102.65 29.72 5.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.006 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 40.2 mmm-85 -78.39 -31.54 48.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -95.88 109.81 22.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.816 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 3.8 mt -102.99 126.28 57.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.69 94.83 2.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' TRP . . . . . . . . . . . . . 40.4 m95 -77.01 -31.68 56.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.943 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -69.34 109.66 4.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.05 -44.6 60.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 159.99 -71.14 0.23 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.494 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.17 -37.46 8.17 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.523 2.149 . . . . 0.0 112.368 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 25.7 p -83.97 128.04 34.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.3 t -96.1 -47.13 6.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 CA-C-O 118.359 -1.245 . . . . 0.0 112.562 179.952 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.7 t -176.6 -40.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.897 0.379 . . . . 0.0 110.935 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m 60.64 -179.04 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.69 -112.18 0.89 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.547 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t -70.34 -56.44 6.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.25 -170.27 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.32 -119.38 18.3 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.442 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m 62.12 120.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.358 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -70.62 85.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.0 m -98.92 31.01 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.4 p -151.79 122.78 7.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -91.31 -141.15 9.43 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.505 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.402 ' CD2' HD21 ' A' ' 21' ' ' LEU . 38.1 m-85 -109.75 134.97 51.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.351 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 72.2 m -154.11 172.22 17.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 60.99 34.77 19.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 mp -118.94 145.11 46.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -138.34 132.65 31.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.3 t 60.07 35.95 21.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -119.12 172.33 7.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.3 t -130.37 139.78 50.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.097 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.402 HD21 ' CD2' ' A' ' 13' ' ' PHE . 7.6 mt -130.44 142.83 50.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -146.09 151.89 38.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -147.05 148.7 31.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.3 tpp180 -105.32 174.7 5.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.69 -52.97 54.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 m -61.91 -32.92 73.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -66.24 -41.08 90.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.2 mt -86.08 -71.97 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 62.85 61.32 1.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.835 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 60.73 79.34 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -142.97 157.4 44.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -85.44 136.03 33.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -117.06 125.23 73.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.2 tp -115.36 124.04 50.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.03 111.74 10.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.98 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 t -147.03 166.22 27.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 59.99 38.91 20.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.0 mt -114.55 145.7 41.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -140.37 122.39 15.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 61.41 36.44 17.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.781 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.3 t -109.58 158.42 18.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.5 p -122.15 143.96 49.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 20.7 t -140.42 134.28 34.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.123 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 45.6 mtp180 -142.95 106.64 4.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.0 mt -97.31 159.92 14.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.81 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -142.07 127.12 18.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 129.84 -117.79 2.43 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.547 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -160.13 88.42 1.87 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.769 0.318 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -69.17 161.41 45.97 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.527 2.151 . . . . 0.0 112.298 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -76.6 -68.8 0.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.953 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.6 m -140.21 111.67 7.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 54.8 tp -77.3 153.04 34.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -153.3 114.26 4.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.6 tp -129.36 109.48 11.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.9 p -133.39 154.99 50.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.7 mttm 60.61 32.7 20.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.948 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.01 139.55 30.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.054 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 42.1 t-80 -141.03 120.41 13.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.6 m 58.87 30.06 19.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.037 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 67.1 m -106.74 155.82 19.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -119.78 143.59 47.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.5 tp -148.21 117.5 6.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.42 HD21 ' CZ3' ' A' ' 172' ' ' TRP . 1.9 mp -133.47 112.29 11.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 5.9 p -139.76 170.24 16.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.949 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.61 -179.9 24.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.428 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.406 ' HG3' ' CD1' ' A' ' 130' ' ' PHE . 27.5 Cg_endo -62.43 128.22 23.05 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.521 2.147 . . . . 0.0 112.25 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.9 p -69.57 154.51 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.187 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.22 -49.27 65.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.57 -79.62 0.56 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.977 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 52.1 m -161.31 -179.99 7.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.08 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.4 t -124.52 159.27 30.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.125 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -127.83 159.49 34.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.962 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.9 tp -154.41 134.52 13.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -158.39 140.44 13.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.18 31.94 20.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.93 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 m -98.78 145.33 27.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 t -158.28 133.48 8.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 59.83 31.87 21.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.1 t -107.73 166.93 10.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -134.13 90.05 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.959 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.3 tt -93.75 114.77 27.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.954 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -116.14 97.28 5.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.9 p -156.33 126.51 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.07 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.35 139.87 41.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 30.7 p -158.93 171.91 19.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -82.13 -47.49 12.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.768 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -127.99 150.63 49.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.82 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 23.6 tp -126.09 143.27 51.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.95 112.6 12.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.3 mt -127.17 142.6 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -155.92 141.66 17.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.03 30.63 20.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.966 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.7 m -107.98 147.77 30.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.827 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -157.9 142.2 16.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.39 30.33 18.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.6 m -112.15 122.36 47.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.983 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 53.1 mtt180 -94.1 111.26 22.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.818 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 28.4 mt -106.42 127.67 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.405 ' CD2' ' HB3' ' A' ' 117' ' ' ALA . 65.0 m-85 -118.46 97.41 5.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -143.31 171.39 14.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -121.86 100.25 6.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 15.8 m -86.5 122.83 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.174 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 16.1 p -97.02 21.94 9.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.1 m -150.49 -71.22 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.82 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.3 ptt85 -178.11 168.97 1.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -131.84 147.01 52.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.092 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 31.2 mt -112.95 143.03 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.075 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 31.5 m -147.94 147.35 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -151.9 130.34 12.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 59.94 34.8 21.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 72.0 m -105.3 145.05 31.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.6 m -153.83 134.88 13.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.59 28.24 57.71 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.45 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 25.6 mm -92.8 154.5 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.822 0.344 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.1 119.76 26.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -109.15 118.01 35.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.405 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . . . -130.05 163.63 46.18 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.074 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.85 148.08 63.73 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.546 2.164 . . . . 0.0 112.315 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -68.61 131.82 45.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 32.6 p -141.14 106.29 4.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -152.43 86.76 1.29 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.76 117.12 14.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.974 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -155.54 141.72 13.03 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.48 -33.57 68.1 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.548 2.166 . . . . 0.0 112.322 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 40.0 mp0 -98.92 46.78 0.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.938 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 1.2 tp -99.87 -41.21 9.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.18 -25.25 65.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.061 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.1 mtmt -77.16 -31.18 55.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -76.38 -35.71 58.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.406 ' CD1' ' HG3' ' A' ' 66' ' ' PRO . 26.0 m-85 -80.92 -41.78 22.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.978 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -31.39 70.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.956 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.3 m -71.94 -38.09 69.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 89.9 p -71.87 -49.16 40.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 110.39 28.36 4.09 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.506 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 8.6 mt -93.16 154.91 17.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.348 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.74 126.84 50.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -98.87 31.17 3.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.22 30.76 5.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -129.52 -70.49 0.65 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 60.21 89.8 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -134.05 83.15 2.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 49.4 p-90 -107.07 -28.63 9.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -57.72 -31.23 66.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.972 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -75.4 108.39 8.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 28.1 t -125.72 147.37 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.83 134.68 47.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -126.43 157.48 38.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -98.59 29.48 3.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -143.98 31.35 1.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -62.54 116.99 5.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 2.2 mt -128.03 32.73 4.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -101.55 167.6 10.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 8.0 mmp_? -81.59 -31.5 32.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -142.78 -49.59 0.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 1.9 ptp -165.51 99.21 0.7 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -171.43 132.06 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.173 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.54 86.34 6.86 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.27 83.38 0.99 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.536 2.157 . . . . 0.0 112.289 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -156.46 -55.2 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 41.7 p-90 -107.92 133.46 52.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.26 158.23 19.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 21.5 mt -98.39 141.65 15.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 12.8 tp -66.58 136.86 94.94 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -73.47 -167.68 0.39 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.449 2.099 . . . . 0.0 112.264 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -97.91 29.32 3.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -123.05 -40.91 2.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -97.27 28.97 3.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.073 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -86.24 -34.71 20.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.919 0.39 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -78.54 93.08 4.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 2.5 mt -82.49 138.46 19.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.082 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -85.77 126.29 33.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' TRP . . . . . 0.42 ' CZ3' HD21 ' A' ' 63' ' ' LEU . 48.7 m95 -110.83 31.74 5.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -134.11 -56.14 0.86 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 1.3 m 60.43 102.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.956 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 150.01 -65.39 0.38 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.451 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.04 140.49 41.74 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.595 2.197 . . . . 0.0 112.298 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 52.5 m -127.93 90.74 3.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 38.7 t -135.85 158.92 43.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.398 -1.223 . . . . 0.0 112.55 179.969 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.1 m -152.05 154.75 36.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.754 0.312 . . . . 0.0 110.954 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.53 147.81 52.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.23 -116.54 4.22 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 p -142.89 81.89 1.74 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.812 0.339 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 p 58.65 167.68 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.82 -75.11 0.36 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 t -123.19 175.91 6.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.751 0.31 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -60.91 -64.96 0.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.1 t 63.96 89.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.082 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -116.89 151.65 36.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.3 -170.37 40.21 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.474 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -144.18 143.95 31.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.808 0.337 . . . . 0.0 110.834 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 65.5 p -164.28 169.72 17.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.954 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 60.52 39.16 18.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.0 mt -128.51 143.33 50.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.971 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -145.33 139.74 27.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.947 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.5 t 60.09 38.04 20.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -122.81 169.03 11.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.8 t -123.49 108.63 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.9 mt -96.67 147.1 24.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.96 130.44 9.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -130.23 150.08 51.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 mtm-85 -110.87 174.2 5.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.45 -43.41 96.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 m -61.71 -32.21 72.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -74.39 -39.49 62.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.9 mt -72.07 -63.77 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 60.21 37.09 20.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 60.62 92.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.7 mtt180 -154.97 -178.16 7.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -99.52 121.07 40.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.96 127.37 48.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 tp -125.14 105.26 9.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 mt -113.72 129.21 56.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.9 t -151.62 165.18 35.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 61.09 37.28 17.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 85.3 mt -103.83 145.84 29.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.4 117.78 5.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 60.81 36.06 19.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 12.7 t -116.99 143.08 46.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.08 150.24 25.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.4 t -144.84 142.26 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.8 mtt-85 -142.48 105.67 4.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.6 mt -98.05 153.76 18.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -141.8 140.73 33.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 128.37 -112.94 1.51 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.513 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -171.27 82.75 0.5 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.667 0.27 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.6 154.21 68.65 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.56 2.173 . . . . 0.0 112.282 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.42 -51.76 12.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -149.82 127.81 11.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.1 tp -93.37 149.29 21.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.8 ttt85 -150.77 105.95 3.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.942 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.3 tp -122.13 131.79 54.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.796 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.2 p -146.68 164.88 31.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.068 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.8 mtmm 53.86 35.15 20.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.072 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.78 128.34 36.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.075 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -132.87 111.7 11.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.5 m 60.48 32.09 20.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 61.4 m -106.22 172.01 7.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -134.26 135.82 43.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.0 tp -133.45 109.16 9.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.408 HD23 ' CD1' ' A' ' 121' ' ' TRP . 6.9 mt -121.9 104.33 9.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.805 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 7.6 p -131.23 164.13 26.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.9 -179.94 12.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.463 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.28 115.69 3.47 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.628 2.219 . . . . 0.0 112.284 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.4 p -61.27 158.67 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.182 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.7 t -71.37 -52.43 18.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.52 -80.54 0.47 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.6 m -165.03 179.92 6.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.861 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.7 t -116.62 159.01 16.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.018 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -139.35 104.49 4.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.985 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.4 tp -100.7 132.49 46.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.74 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -149.72 142.42 24.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.15 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 63.24 32.76 14.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 17.7 m -107.01 134.96 49.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.889 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 p -142.5 132.84 24.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.013 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 59.74 39.11 21.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.9 t -117.51 162.94 17.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.22 93.12 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.5 tp -90.96 130.03 36.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -131.02 107.72 9.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.973 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.7 p -164.34 122.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.51 126.16 29.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 15.0 p -146.1 171.54 14.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.939 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -82.02 -31.1 31.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -146.25 163.39 35.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 32.2 tp -143.52 124.8 14.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 38.5 ttt-85 -122.63 101.99 7.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.987 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 2.6 mp -96.33 159.26 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -161.36 133.36 5.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.967 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.8 m 60.01 35.16 21.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.042 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 67.8 m -112.45 140.8 46.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.27 135.52 22.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.001 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 54.73 39.98 31.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.9 m -114.4 115.32 27.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.081 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.4 mtt85 -75.69 137.04 40.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.731 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 16.4 mt -140.84 108.85 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.19 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.406 ' CD2' ' HB1' ' A' ' 117' ' ' ALA . 48.7 m-85 -102.25 101.19 11.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -138.74 165.91 25.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.968 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -113.55 89.94 3.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.706 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.4 m -80.71 120.67 32.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 82.7 p -87.75 -30.34 20.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.34 -72.37 0.63 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.818 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -178.58 162.03 1.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -115.2 152.62 32.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.039 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 4.6 mt -126.66 153.38 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 6.8 m -142.54 120.17 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.023 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.52 120.8 36.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.99 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.97 30.93 20.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.974 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 14.4 m -100.61 162.71 12.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.11 123.53 1.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.979 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.12 28.14 50.42 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.565 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 26.1 mm -81.68 127.93 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.748 0.309 . . . . 0.0 111.099 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.2 115.85 24.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.048 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -103.78 124.74 49.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.406 ' HB1' ' CD2' ' A' ' 99' ' ' PHE . . . -153.0 154.26 30.8 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.073 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.2 -174.69 0.44 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.553 2.168 . . . . 0.0 112.257 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 121' ' ' TRP . 11.2 t80 -101.41 124.95 47.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 3.4 t -109.8 -26.17 9.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.081 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 119' ' ' TYR . 0.0 OUTLIER -55.17 153.56 6.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.051 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.2 m -175.86 172.06 2.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -168.8 162.99 8.06 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.821 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -50.43 -31.4 30.43 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.557 2.171 . . . . 0.0 112.362 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -104.43 53.25 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -104.87 -33.96 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.037 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.11 -31.85 72.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -77.32 -30.81 54.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -72.18 -38.94 68.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -76.73 -41.0 46.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.923 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -68.94 -33.58 73.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.2 m -69.94 -37.58 75.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.96 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 53.4 p -84.03 -31.49 25.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.01 30.56 7.4 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.458 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 75.6 mt -107.39 -176.81 3.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.807 0.337 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.67 160.83 37.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -100.43 -31.96 11.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.52 -55.43 6.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 4.4 mttp -64.51 121.03 13.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -173.09 143.21 1.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -142.5 78.87 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 64.5 p-90 -75.42 -28.62 59.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -57.75 -31.21 66.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -71.87 120.4 17.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.994 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 21.5 t -144.61 146.82 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -130.78 140.72 50.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.42 119.5 37.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -73.22 -34.52 65.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -76.75 -31.37 57.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.948 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 49.2 t-105 -122.81 122.06 37.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 8.5 tt -85.48 111.51 20.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -74.06 136.31 43.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.07 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -162.6 -46.57 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -132.74 -47.66 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 1.7 mtp -94.72 162.78 13.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.953 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -80.53 179.79 7.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.089 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 1.1 m -100.58 101.18 14.3 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.03 63.0 2.52 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.509 2.139 . . . . 0.0 112.326 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -149.05 -70.15 0.21 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 66.4 p-90 -93.74 158.9 15.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 4.1 m -143.32 156.92 44.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 32.2 mt -94.16 146.03 7.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.044 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 13.8 tp -75.83 127.17 86.06 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.34 -167.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.41 2.073 . . . . 0.0 112.325 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -105.03 33.39 3.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -123.16 -43.59 2.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -98.47 29.86 3.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.977 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.79 -31.32 45.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.935 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -80.6 126.88 31.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 20.7 mt -111.86 146.93 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.039 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.64 105.46 7.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' TRP . . . . . . . . . . . . . 54.5 m95 -112.3 -53.76 2.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 14.5 p30 -156.5 158.14 36.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 11.5 t -150.11 -73.02 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -93.0 -176.04 40.95 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.55 -45.99 1.48 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.615 2.21 . . . . 0.0 112.305 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.96 31.7 6.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 14.0 p -155.74 86.05 1.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.314 -1.27 . . . . 0.0 112.484 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.179 0 N-CA-C 112.536 -0.225 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.2 t -101.64 -40.2 7.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 110.959 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 t 60.39 100.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.31 -146.32 4.49 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.442 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 t 60.35 175.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.0 110.868 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.8 p -72.57 88.95 1.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.65 130.79 50.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.546 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m -111.92 155.41 23.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.359 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.424 ' CD2' ' O ' ' A' ' 9' ' ' TRP . 36.6 p-90 -68.52 84.95 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.967 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.0 m -141.29 30.98 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.104 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.6 m -86.92 -53.5 4.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.963 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.96 -110.35 3.17 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.415 ' CE2' ' HE2' ' A' ' 23' ' ' LYS . 4.5 m-85 -146.2 129.12 16.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 0.0 110.927 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.4 p -158.68 177.71 10.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 60.35 35.85 20.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.25 146.77 48.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -150.87 147.36 27.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.7 p 58.71 32.69 22.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -125.05 174.41 8.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.8 t -128.03 114.4 34.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.7 mt -108.84 141.72 40.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.5 145.94 49.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.956 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.415 ' HE2' ' CE2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -143.18 158.5 43.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.788 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.44 175.35 9.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.28 -31.07 72.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.032 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.55 -34.01 64.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.813 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -80.32 -36.0 34.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 mt -77.58 -50.3 12.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 59.58 31.6 21.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 60.0 71.2 0.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -127.12 -176.89 3.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -91.45 100.07 12.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.9 t -65.94 110.74 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.047 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.7 tp -109.74 115.84 30.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.969 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 mt -135.19 133.56 39.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.6 t -162.11 166.74 25.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 62.13 40.04 12.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.2 mt -110.15 163.3 13.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.983 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.7 m -158.69 111.28 2.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 60.84 31.35 20.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.8 t -101.23 103.49 14.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.53 144.8 55.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.784 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.58 157.36 43.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -155.57 100.09 2.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.3 mt -102.72 158.27 16.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -147.62 100.18 3.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 165.41 -138.82 5.45 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -148.22 67.65 9.97 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.773 0.321 . . . . 0.0 110.968 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.28 146.47 40.03 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.579 2.186 . . . . 0.0 112.25 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -62.61 -56.87 13.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -136.39 151.16 49.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.4 tp -123.98 140.4 53.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -152.39 116.04 4.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.0 tp -127.34 128.67 46.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.807 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.0 p -149.17 160.11 43.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.4 mttm 59.62 37.45 22.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -107.49 144.1 34.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.001 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -138.41 121.68 17.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.3 m 59.53 27.24 16.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 59.0 m -95.55 146.69 24.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -118.03 111.12 18.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.2 tp -112.05 128.21 56.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.6 mt -137.74 111.29 8.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 51.6 t -141.25 156.29 45.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.81 -179.91 1.3 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -62.97 119.37 6.41 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.613 2.208 . . . . 0.0 112.209 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.9 p -58.59 158.44 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.07 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 t -69.12 -52.32 29.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.971 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.12 -77.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.46 179.98 7.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.0 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 24.4 t -123.2 158.8 27.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -132.89 118.56 19.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.6 tp -113.78 136.97 52.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -160.87 142.16 11.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 62.9 32.49 15.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 10.0 m -103.0 138.53 39.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.4 t -147.8 130.53 16.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 60.33 34.13 20.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 14.5 m -107.7 165.86 11.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -134.13 90.21 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 tp -86.85 151.19 23.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -149.19 97.25 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.4 p -162.71 128.6 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.088 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.25 154.46 35.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.068 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 30.7 p -169.93 -179.95 3.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -104.39 -31.54 9.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -137.64 121.17 17.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.952 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 32.6 tp -115.17 138.18 51.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.13 117.04 19.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.3 mt -114.33 147.26 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.053 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -153.13 131.62 12.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.026 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 63.4 m 59.33 37.09 23.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.996 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 51.6 m -110.42 134.02 52.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.797 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -148.08 140.47 24.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.32 30.74 20.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.0 m -113.16 130.08 56.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.979 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -93.36 140.32 29.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 29.5 mt -139.3 126.57 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.157 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.418 ' CZ ' HD22 ' A' ' 163' ' ' LEU . 9.7 m-85 -116.51 109.06 16.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -152.41 176.06 12.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -127.63 90.09 3.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 8.8 m -81.9 121.38 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 70.1 p -90.59 -33.77 15.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.56 -74.86 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -176.61 176.05 1.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -142.22 157.73 44.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 22.3 mt -123.83 148.77 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 5.2 m -149.79 109.65 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.088 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -122.41 138.26 54.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.804 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 60.18 30.88 20.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 96.9 m -110.76 152.93 26.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 m -157.75 128.8 6.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.1 28.05 50.81 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.557 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 26.7 mm -82.24 148.1 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.819 0.343 . . . . 0.0 111.085 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -112.82 129.34 56.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -122.74 122.22 38.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.411 ' HB1' ' CD2' ' A' ' 99' ' ' PHE . . . -140.02 162.17 51.82 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.061 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.24 168.53 20.61 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.558 2.172 . . . . 0.0 112.343 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -112.96 127.1 56.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.27 31.33 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -84.24 178.43 7.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.748 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.8 m 61.23 -177.54 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.841 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.436 ' N ' ' HD2' ' A' ' 124' ' ' PRO . 0.3 OUTLIER -177.52 -62.38 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.01 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 123' ' ' TYR . 19.3 Cg_endo -58.84 -23.18 66.01 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.491 2.128 . . . . 0.0 112.292 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -146.95 53.32 1.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 9.1 tp -110.02 -34.97 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.061 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.23 -38.99 63.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -73.68 -38.31 64.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.93 -34.99 79.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.23 -32.2 73.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -88.71 -31.6 18.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.17 -47.48 20.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 78.9 p -59.37 -38.18 79.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 112.26 30.59 2.87 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.436 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 24.5 mt -108.49 171.48 7.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.88 137.53 52.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 51.5 mtp85 -87.9 -31.43 19.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.49 -56.88 3.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -60.19 132.14 52.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -148.05 122.21 9.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -150.19 86.02 1.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 33.8 p-90 -110.35 -29.29 8.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.956 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.32 -31.05 67.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.07 104.95 13.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.64 127.55 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -77.25 100.67 5.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -95.22 136.29 35.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -99.11 39.71 1.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 -165.38 105.64 0.75 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -111.75 115.28 28.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.59 150.43 20.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -92.74 48.39 1.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 6.7 mtt85 -77.14 -59.61 2.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -130.23 -53.42 1.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 29.8 ttm -176.76 -40.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -92.57 -169.86 2.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.13 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 20.0 m -114.41 87.54 14.02 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.44 62.79 2.83 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.545 2.164 . . . . 0.0 112.322 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -107.79 -32.57 7.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 24.6 p-90 -117.78 112.27 20.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.58 170.88 15.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 33.3 mt -124.54 131.6 72.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.418 HD22 ' CZ ' ' A' ' 99' ' ' PHE . 5.5 tp -61.65 131.85 92.93 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.755 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -67.82 167.9 20.08 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.529 2.153 . . . . 0.0 112.279 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -93.14 47.58 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -141.11 -46.19 0.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -97.02 33.05 1.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -67.59 -47.81 68.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.815 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -69.33 120.41 15.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.78 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 19.3 mt -108.71 152.44 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.143 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.54 114.56 3.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' TRP . . . . . . . . . . . . . 31.1 m95 -102.74 -63.39 1.17 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.66 -73.69 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 26.2 t -156.29 128.12 7.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -77.94 -150.05 4.28 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -51.89 -55.04 4.29 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.559 2.173 . . . . 0.0 112.331 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.37 167.94 15.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 66.0 p -170.57 -60.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.945 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.534 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 N-CA-C 112.546 -0.222 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.49 150.79 51.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.867 0.365 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -102.32 89.3 3.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.72 -152.98 6.2 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.485 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 m -125.31 166.05 17.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.4 p -117.5 31.82 6.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.843 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.72 -99.73 0.19 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.455 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.9 p -77.19 165.3 24.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.808 0.337 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 9.6 m0 -119.09 116.5 26.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.4 t -131.4 129.2 62.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.172 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -176.21 102.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.5 -154.35 21.73 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.526 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -130.83 150.44 52.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 90.3 p -164.14 176.81 8.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 60.36 32.65 20.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.4 mt -114.98 142.15 47.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.81 130.74 20.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m 61.84 31.73 18.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -115.39 161.4 18.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.0 t -125.67 121.89 61.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.048 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 mt -113.05 170.34 8.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -153.49 139.1 17.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.8 mttt -138.27 157.52 46.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.2 mtm-85 -127.5 179.84 5.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.82 -42.33 77.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.106 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.6 t -67.74 -30.76 70.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.09 -45.47 70.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.945 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.5 mt -77.87 -79.96 0.11 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 61.67 69.99 0.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.936 0.398 . . . . 0.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 57.69 74.06 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -134.98 165.6 24.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -103.92 101.8 11.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.823 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 25.9 t -86.76 114.64 26.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.3 tp -119.19 111.31 18.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -116.79 136.01 53.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.8 t -161.8 167.44 24.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.986 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 60.05 39.55 19.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 mt -111.49 154.54 24.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.1 115.1 6.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 60.96 30.67 19.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.935 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.6 t -100.73 131.18 46.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.6 m -91.53 134.15 34.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -134.08 130.05 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.149 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -136.3 134.82 38.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.966 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.9 mt -130.33 156.67 44.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.892 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -144.29 104.61 4.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 157.41 -137.2 5.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.486 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -150.18 83.36 6.1 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.726 0.298 . . . . 0.0 110.909 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.29 173.37 11.54 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.626 2.217 . . . . 0.0 112.281 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -76.92 -63.3 1.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.841 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.3 m -138.37 148.23 44.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.3 tp -119.04 143.65 46.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -154.17 139.01 17.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.3 tp -147.69 131.46 16.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.789 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.0 p -148.53 158.84 44.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.04 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.1 mttt 59.64 31.26 20.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -101.78 124.91 48.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.056 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -126.55 125.71 42.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.012 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.7 m 58.49 30.92 20.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.971 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 35.1 m -108.54 150.68 27.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -111.66 140.95 45.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.9 tp -135.0 128.42 32.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.953 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.1 mt -139.68 123.85 17.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.1 p -157.54 162.54 38.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -70.08 -179.93 26.63 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.476 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.418 ' HG3' ' CD1' ' A' ' 130' ' ' PHE . 26.0 Cg_endo -61.91 127.71 22.18 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.59 2.193 . . . . 0.0 112.216 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.1 p -69.7 158.6 5.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.167 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 m -68.5 -53.77 21.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.969 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.8 p -102.16 -76.2 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -163.25 179.99 7.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.015 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.86 159.06 21.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -131.73 128.9 39.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 tp -126.4 134.4 51.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.754 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -157.41 139.03 13.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.948 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.83 39.99 10.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.029 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.3 m -105.97 135.0 48.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.84 128.96 16.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 60.69 36.35 19.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -109.34 174.32 5.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.811 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.36 89.96 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.49 138.68 32.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -139.34 99.78 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.8 p -163.62 153.31 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.081 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -105.65 130.3 53.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 9.4 p -144.27 179.98 6.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.958 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -100.78 -31.27 11.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.964 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -143.59 99.92 3.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 47.8 tp -78.68 158.3 28.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -146.2 105.32 3.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.956 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.2 mt -109.82 158.61 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.414 ' CD2' ' HB3' ' A' ' 109' ' ' GLU . 50.2 t-80 -167.54 142.91 3.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.119 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.4 m 51.07 28.69 4.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.214 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 28.8 m -100.12 139.35 35.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.937 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.7 pttp -151.06 130.76 13.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.975 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.31 39.96 21.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.032 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.6 m -121.0 112.39 18.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -64.73 139.48 58.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.798 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 27.8 mt -140.83 123.68 15.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.196 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -120.38 100.32 7.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.791 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -137.7 171.62 14.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.054 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -128.7 89.9 2.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.819 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.8 m -81.53 134.2 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 10.6 p -100.8 -30.78 11.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.62 -65.51 0.97 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -177.62 177.64 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -129.47 164.23 24.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.055 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 32.8 mt -142.14 138.97 30.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 30.3 m -148.69 129.18 4.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.046 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.414 ' HB3' ' CD2' ' A' ' 91' ' ' HIS . 0.2 OUTLIER -126.21 129.44 48.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.04 30.93 18.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 13.7 m -107.5 141.19 39.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.51 136.88 23.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.07 27.74 63.7 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.571 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 29.7 mm -82.48 114.7 23.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.841 0.353 . . . . 0.0 111.054 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.93 104.37 11.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -90.53 136.66 32.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -155.15 159.8 31.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.99 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.01 159.3 53.72 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.532 2.154 . . . . 0.0 112.301 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -79.97 95.38 6.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.75 105.02 15.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -161.95 120.54 2.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.55 131.25 56.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -145.43 160.13 46.11 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.35 -32.67 52.66 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.596 2.198 . . . . 0.0 112.319 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -131.64 64.3 1.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -110.11 -33.58 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.003 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.43 -34.11 63.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.847 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -30.9 69.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.34 -45.78 79.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.418 ' CD1' ' HG3' ' A' ' 66' ' ' PRO . 11.2 m-85 -58.92 -37.28 76.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.046 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.06 -33.72 50.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.18 -55.51 32.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 40.3 p -61.57 -37.52 84.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 107.91 30.28 4.03 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.467 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 34.5 mt -96.19 159.61 14.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.784 0.326 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.71 152.3 25.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.822 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -112.05 30.31 7.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.78 -34.69 6.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -85.92 128.69 34.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.85 111.83 3.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -139.1 43.16 2.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 64.1 p-90 -66.24 -30.75 71.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -59.31 -36.09 74.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.921 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.21 110.97 21.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 21.6 t -122.53 146.1 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -83.47 153.24 24.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -135.1 130.12 35.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.806 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -106.21 -30.21 9.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -90.16 52.17 2.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . 0.418 ' CZ2' ' HD2' ' A' ' 158' ' ' PRO . 36.3 t-105 -175.22 128.09 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.96 113.37 7.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -84.87 89.91 7.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.041 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -126.41 72.47 1.32 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.3 t0 59.2 31.42 21.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.11 151.44 45.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -71.84 -178.48 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.042 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.8 80.82 49.2 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . 0.418 ' HD2' ' CZ2' ' A' ' 150' ' ' TRP . 26.5 Cg_exo -62.51 76.15 0.1 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.68 2.253 . . . . 0.0 112.24 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -140.52 -61.07 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 66.3 p-90 -91.01 141.95 28.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.802 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -127.96 164.67 21.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.956 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 18.2 mt -101.1 141.68 17.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 13.8 tp -75.99 137.36 69.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.15 -168.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.437 2.091 . . . . 0.0 112.273 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -105.34 29.8 6.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -117.28 -42.18 2.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -98.73 31.41 2.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -67.21 -55.83 12.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -102.92 158.68 16.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' ILE . . . . . 0.406 ' HB ' ' CH2' ' A' ' 172' ' ' TRP . 31.2 mt -142.22 156.26 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -75.64 112.71 12.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' TRP . . . . . 0.406 ' CH2' ' HB ' ' A' ' 170' ' ' ILE . 33.7 m95 -98.8 31.35 2.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -134.03 104.17 6.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 4.7 m -77.97 -53.84 6.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 61.75 168.28 0.62 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.526 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -51.46 166.55 0.48 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.718 2.278 . . . . 0.0 112.399 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 31.4 t -179.68 -38.62 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.86 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.6 t 69.47 85.65 0.14 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.339 -1.256 . . . . 0.0 112.449 179.903 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.158 0 N-CA-C 112.568 -0.213 . . . . 0.0 112.568 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -170.9 -176.12 1.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 m -152.26 109.45 3.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.25 -61.44 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.529 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.14 39.89 1.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 110.929 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.5 p -76.93 87.57 3.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.11 51.63 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.475 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.31 146.05 18.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.82 0.343 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 13.3 m0 -102.0 -61.2 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.4 t 59.52 95.51 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.217 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.2 m -98.13 35.61 1.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -75.55 179.27 46.65 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.546 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.418 ' CD2' HD13 ' A' ' 21' ' ' LEU . 11.4 m-85 -147.66 129.58 15.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.9 p -153.49 171.52 18.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.4 m120 60.62 32.44 20.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.937 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.3 mt -113.24 169.34 9.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -169.92 129.31 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.96 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.07 34.33 19.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -121.53 147.83 45.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.8 t -107.86 109.79 29.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.063 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.418 HD13 ' CD2' ' A' ' 13' ' ' PHE . 12.8 mt -93.54 139.4 30.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -149.38 127.06 11.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -119.55 -179.95 4.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.66 167.16 16.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.946 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.96 -56.77 17.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.062 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.87 -31.13 69.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.952 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -70.51 -42.47 71.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.953 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.5 mt -79.85 -56.01 4.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.982 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 63.26 34.24 13.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.99 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 59.25 94.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.5 mtt85 -147.19 168.41 21.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -67.16 126.16 28.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.8 t -103.32 109.4 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.0 tp -108.11 104.6 14.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 mt -117.13 122.25 43.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.3 t -153.52 164.65 37.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 62.82 35.55 13.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.8 mt -97.21 152.97 18.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 72.6 m -161.69 112.88 1.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 60.28 32.01 20.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.792 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.53 148.2 29.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.67 131.59 53.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.2 t -123.22 147.75 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.23 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.6 mtm-85 -157.2 99.94 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.6 mt -93.27 134.96 34.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -121.28 107.22 12.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 158.98 -121.76 1.08 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.553 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -160.5 69.19 2.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.746 0.308 . . . . 0.0 110.855 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.54 149.51 30.8 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.555 2.17 . . . . 0.0 112.273 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -69.49 -69.28 0.35 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.15 100.03 4.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.9 tp -69.09 136.52 52.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.66 100.67 4.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.65 127.43 55.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 36.6 p -151.08 163.33 39.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.949 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt 59.05 33.12 22.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.18 144.77 27.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.065 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -147.6 118.66 7.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.8 m 61.03 30.15 19.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 15.0 m -111.4 151.46 28.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -115.62 146.42 41.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -138.9 132.06 29.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.4 mt -141.74 103.9 4.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.8 p -134.2 165.27 25.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.78 -179.98 21.29 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.481 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -64.74 119.7 6.8 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.66 2.24 . . . . 0.0 112.276 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.3 p -60.8 156.35 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.15 -49.6 42.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.952 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.08 -77.78 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.016 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.3 m -164.04 -179.97 6.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.996 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 24.3 t -123.67 158.66 29.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -131.85 125.77 32.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.0 tp -121.23 136.0 55.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.818 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -161.77 143.38 11.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 61.74 39.93 13.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 76.8 m -116.56 148.6 40.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.6 t -160.43 140.36 11.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 59.98 30.61 20.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.943 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 22.5 m -112.65 168.64 9.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.836 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 22.5 t -132.25 91.57 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.06 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 tp -88.33 142.15 27.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -146.67 99.75 3.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.9 p -158.22 122.47 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.044 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.55 124.63 25.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.993 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.2 p -141.78 179.98 6.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.981 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.69 -49.72 5.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.79 112.38 14.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 21.9 tp -90.48 124.22 34.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -117.28 115.45 25.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.41 HD13 HG23 ' A' ' 90' ' ' ILE . 28.3 mt -119.64 158.39 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -165.72 136.96 3.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.036 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 57.65 31.01 19.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 84.6 m -103.94 150.64 24.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.1 ptmm? -164.45 139.63 5.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.3 t0 59.78 38.48 21.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.2 m -118.61 101.36 8.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -71.82 102.37 2.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.2 mt -96.65 137.86 23.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.009 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -126.7 91.76 3.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.935 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -140.22 -179.96 6.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.931 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -136.08 98.16 3.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.2 m -81.17 133.02 30.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 68.5 p -97.7 -30.91 12.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 65.1 m -92.88 -77.01 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.028 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 43.7 mtt180 -161.22 179.98 7.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.031 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -134.38 138.81 45.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.029 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 22.9 mt -121.32 139.43 48.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.194 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.3 m -144.82 138.67 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.053 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -137.18 133.4 35.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.7 t70 53.55 28.93 8.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 87.5 m -90.95 146.14 24.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.91 126.66 6.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.13 32.06 36.74 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.534 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 24.3 mm -90.12 148.01 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -115.47 111.98 21.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -93.5 129.0 39.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -151.98 145.09 17.33 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.062 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -56.12 171.38 0.84 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.471 2.114 . . . . 0.0 112.24 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.42 ' CE2' ' HB2' ' A' ' 121' ' ' TRP . 68.5 t80 -89.57 142.98 27.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.759 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.7 p -137.55 104.27 5.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.42 ' HB2' ' CE2' ' A' ' 119' ' ' TYR . 0.0 OUTLIER -178.56 123.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 179.865 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -144.63 154.05 42.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -172.47 163.69 3.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -51.55 -27.65 26.02 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.646 2.23 . . . . 0.0 112.499 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.1 30.79 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -80.97 -43.86 20.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.137 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.58 -34.22 72.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.953 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -67.99 -30.63 69.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.961 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -77.06 -58.43 3.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.422 ' CZ ' ' HG2' ' A' ' 137' ' ' ARG . 27.8 m-85 -58.98 -34.98 72.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -65.3 -38.18 89.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.4 m -68.41 -52.58 31.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 14.8 p -68.19 -39.14 82.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.06 28.06 32.18 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.7 mt -92.45 168.68 11.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.774 0.321 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.3 144.46 45.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.422 ' HG2' ' CZ ' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -107.41 32.07 4.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.61 -44.67 1.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.814 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 47.8 mttm -77.13 91.8 3.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -82.07 162.42 22.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.815 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -175.79 38.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.846 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 41.7 p-90 -93.76 -13.32 27.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.39 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -75.41 -31.73 60.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.909 0.385 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -91.38 105.55 17.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.411 ' HB ' ' CZ2' ' A' ' 160' ' ' TRP . 21.6 t -121.4 139.84 47.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.29 179.29 4.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -157.07 114.36 3.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -111.56 31.03 6.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -162.31 96.48 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.761 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -92.43 129.09 38.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.19 -24.97 63.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.014 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . 64.09 81.36 0.21 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.082 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.34 -47.44 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -162.14 -57.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 4.3 ptp -169.65 -178.59 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . 60.68 -169.37 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 4.0 m -141.94 89.37 8.92 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.803 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.52 63.46 1.65 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.507 2.138 . . . . 0.0 112.366 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -120.31 -48.82 2.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.817 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.411 ' CZ2' ' HB ' ' A' ' 145' ' ' VAL . 65.5 p-90 -117.8 148.51 42.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.71 168.29 16.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 35.8 mt -111.26 135.03 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.051 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 13.5 tp -63.17 136.2 96.58 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -73.61 -168.71 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.529 2.152 . . . . 0.0 112.314 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -97.47 39.63 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -125.57 -44.71 1.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -104.89 31.82 4.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -77.3 -66.14 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -79.72 84.29 5.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 1.8 mp -71.14 137.89 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -76.33 99.49 4.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' TRP . . . . . . . . . . . . . 53.1 m95 -83.65 98.22 9.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 60.21 177.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 1.5 m -144.77 -64.46 0.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 62.85 148.5 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.545 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.44 119.39 6.11 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.554 2.169 . . . . 0.0 112.324 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.48 -44.39 1.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.2 p -147.86 -47.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.405 -1.219 . . . . 0.0 112.492 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.245 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.8 p -156.55 -178.48 7.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.84 0.352 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.1 m -91.53 141.34 28.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.08 -163.4 29.13 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.482 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.3 75.29 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.353 . . . . 0.0 110.927 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -177.02 -62.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.64 77.89 0.31 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.51 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.48 -40.04 23.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.793 0.33 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -111.71 -177.69 3.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.2 t 65.52 85.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.086 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.88 124.49 35.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -143.72 175.53 23.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.481 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.412 ' CG ' HD11 ' A' ' 21' ' ' LEU . 6.8 m-85 -134.52 121.74 21.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.772 0.32 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.3 m -139.3 170.43 15.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.1 m120 62.6 39.07 11.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mt -129.59 134.51 47.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -135.96 131.25 34.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.65 32.97 20.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -116.04 171.87 7.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.4 t -125.17 142.99 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.412 HD11 ' CG ' ' A' ' 13' ' ' PHE . 10.5 mt -133.22 137.33 46.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.943 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -139.15 113.2 8.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt -115.74 127.45 55.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.74 176.23 6.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.11 -31.42 72.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.7 m -76.79 -33.76 58.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -73.44 -33.33 64.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 mt -92.62 -49.76 5.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 59.19 40.58 21.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.95 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 60.21 81.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.98 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -138.09 -179.0 5.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -78.29 141.2 38.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -117.61 109.33 27.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.158 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.1 tp -118.38 136.83 53.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.9 mt -140.13 140.21 35.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 t -163.41 157.29 19.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 61.01 39.9 15.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 82.9 mt -112.13 133.97 53.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.99 116.42 13.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.796 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 60.52 33.57 20.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.1 t -106.2 113.97 27.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.11 122.79 25.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -118.68 118.66 58.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 37.1 mtt180 -123.32 101.91 7.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.2 mt -95.26 156.39 16.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.445 ' CE1' ' CH2' ' A' ' 121' ' ' TRP . 61.6 m-85 -146.44 104.78 3.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 163.4 -130.55 2.25 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.505 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -155.49 82.26 3.84 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 120.651 0.263 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.89 144.27 52.8 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.576 2.184 . . . . 0.0 112.335 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.52 -58.77 7.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.824 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.03 99.97 3.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.2 tp -70.03 146.38 51.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.797 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -152.72 135.64 15.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.972 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 47.6 tp -143.26 126.44 16.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.741 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.1 p -149.75 161.92 41.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt 59.62 31.41 20.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.57 143.71 29.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.058 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -146.58 122.46 10.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 m 60.18 31.17 20.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 55.7 m -108.71 163.32 13.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -124.67 117.4 24.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.3 tp -106.09 123.79 48.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.95 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.6 mt -136.37 111.83 9.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 52.1 t -143.86 156.12 44.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.09 -179.88 17.69 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.406 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -57.26 114.39 1.92 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.674 2.249 . . . . 0.0 112.175 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.2 p -57.53 158.53 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.206 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.1 t -63.17 -53.65 49.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.2 -78.01 0.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.077 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.0 m -149.02 -179.99 7.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.08 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.9 t -127.46 159.04 38.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -127.36 139.05 53.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.3 tp -132.16 132.74 43.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -156.54 135.97 12.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.064 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 62.89 40.13 9.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.051 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.2 m -107.6 133.72 51.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.818 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -149.52 139.05 21.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 59.2 30.29 20.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 84.6 m -115.07 159.53 20.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.17 91.86 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.5 tt -86.85 149.91 24.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.962 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -154.64 97.91 2.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.3 m -155.01 120.6 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.161 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.94 144.34 54.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.055 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 27.6 p -168.66 160.14 10.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.957 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -72.33 -37.57 68.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -136.22 153.31 51.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 16.7 tp -132.18 154.86 49.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -144.69 114.74 7.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.3 mt -118.33 158.6 19.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.074 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -166.24 145.09 5.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.988 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 51.09 28.23 3.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 47.6 m -102.59 135.02 44.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -144.71 131.67 20.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 60.1 39.99 18.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.011 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.0 m -119.5 113.87 21.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 -72.17 145.32 48.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 20.7 mt -138.98 109.26 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.198 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -103.69 93.56 4.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -143.13 171.96 13.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -124.01 105.19 9.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 15.1 m -91.57 138.46 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 46.1 p -109.52 -31.38 7.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.73 -74.3 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.7 ptp85 -176.33 153.79 1.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -105.53 147.54 28.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.081 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 23.6 mm -119.14 130.51 73.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 29.1 m -132.84 130.6 58.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.081 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -140.23 126.17 19.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 61.26 31.58 19.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 56.3 m -108.69 155.85 20.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 41.4 m -159.37 138.07 10.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.951 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 69.74 30.71 70.44 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.474 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 29.7 mm -83.41 158.19 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.786 0.327 . . . . 0.0 111.186 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.18 123.17 40.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -115.25 118.82 34.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -148.69 152.74 38.32 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.31 169.15 0.33 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.611 2.208 . . . . 0.0 112.297 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.414 ' CE2' ' HB2' ' A' ' 121' ' ' TRP . 74.4 t80 -82.71 143.56 30.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 4.9 p -138.4 110.25 7.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.445 ' CH2' ' CE1' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -177.69 91.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.82 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 68.4 m -85.48 115.07 22.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.06 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.44 ' CG ' ' HD2' ' A' ' 124' ' ' PRO . 0.1 OUTLIER -134.09 152.82 79.08 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.737 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' A' ' 123' ' ' TYR . 29.7 Cg_endo -63.31 -25.76 71.64 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.511 2.14 . . . . 0.0 112.317 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -107.57 40.07 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.828 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -89.3 -34.19 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.209 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -59.57 -55.71 31.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.23 -31.38 70.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.59 -48.69 80.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.809 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -68.11 -36.46 79.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -68.19 -41.57 81.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.8 m -74.89 -34.9 62.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.955 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 44.2 p -65.11 -32.69 74.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.56 31.13 41.97 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.548 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 19.7 mt -102.51 -178.2 3.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.352 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.34 122.84 41.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.812 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -82.44 -33.61 28.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.14 -31.65 70.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.964 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -76.72 115.57 16.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -135.12 94.5 3.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -141.14 82.27 1.82 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 52.1 p-90 -103.24 34.19 3.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -117.09 -44.74 2.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -74.02 109.87 7.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 21.5 t -121.03 157.67 24.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.47 110.99 23.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.11 120.53 34.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -98.66 32.75 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -165.18 70.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.768 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.81 106.27 18.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 15.0 mt -79.7 -59.9 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -96.53 136.7 36.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -84.36 93.16 8.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -154.67 25.81 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.22 27.43 6.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -154.01 124.13 6.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.122 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.39 121.63 45.58 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -77.18 59.12 6.46 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.485 2.124 . . . . 0.0 112.388 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -128.8 -54.23 1.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 62.0 p-90 -94.93 162.59 13.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.51 171.9 16.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 33.1 mt -112.88 139.33 38.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.083 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 9.4 tp -71.78 136.07 83.04 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.758 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.69 -174.41 0.71 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.442 2.094 . . . . 0.0 112.282 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -98.49 28.08 4.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.962 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -120.76 -38.25 2.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.042 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -97.11 36.12 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -105.4 30.95 5.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.867 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -136.71 75.21 1.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' ILE . . . . . 0.409 HG23 ' CH2' ' A' ' 172' ' ' TRP . 3.3 mp -78.73 147.15 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.093 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -99.82 118.69 36.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' TRP . . . . . 0.409 ' CH2' HG23 ' A' ' 170' ' ' ILE . 19.1 m95 -98.48 33.69 2.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.47 164.78 11.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.995 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 53.4 p -166.2 118.58 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.819 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -102.06 105.88 2.89 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.555 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -51.18 -42.32 54.11 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.473 2.115 . . . . 0.0 112.366 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 3.3 m -169.24 -50.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 3.5 m -65.41 -31.24 72.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.092 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.45 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.165 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 60.39 174.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.98 133.67 43.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.81 -178.44 52.19 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 m 60.31 87.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.348 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.7 p -146.11 137.37 24.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.03 -63.09 0.16 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.447 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 86.8 p -80.97 -31.19 34.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.816 0.341 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -86.83 -177.98 6.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.2 t 63.93 137.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.092 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -176.69 151.3 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -153.14 156.39 26.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -135.38 130.81 35.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.851 0.357 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.0 p -165.05 176.76 8.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 60.62 36.9 19.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.2 mt -117.24 160.06 21.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -148.31 121.73 9.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 m 60.86 37.14 18.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -112.93 155.09 25.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.6 t -122.53 119.32 57.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.098 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.7 mt -102.49 165.3 11.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -162.54 116.52 1.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -116.8 158.93 23.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.812 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.17 171.82 7.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.806 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.59 -30.98 72.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.119 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.93 -33.42 74.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.65 -53.41 9.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.56 -74.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 60.87 55.77 3.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.72 85.84 0.11 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.36 170.65 20.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -85.54 150.73 24.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.76 132.73 65.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.063 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.4 tp -124.93 125.04 43.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mt -137.28 123.49 20.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 t -155.47 168.59 26.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.0 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 61.03 39.93 15.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.1 mt -118.75 139.45 51.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.6 m -133.38 120.24 20.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 60.54 31.74 20.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.773 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.0 t -99.47 168.05 10.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.82 137.25 39.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.3 t -136.73 141.33 41.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.165 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -140.4 117.71 11.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.2 mt -107.77 126.04 52.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -107.3 113.73 27.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 147.16 -121.61 1.43 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -165.21 87.75 1.0 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.702 0.287 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 170.01 17.47 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.591 2.194 . . . . 0.0 112.342 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -84.27 -54.72 4.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.3 m -146.01 122.47 11.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.4 tp -89.1 133.39 34.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.64 116.5 17.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.6 tp -132.61 125.9 31.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.5 p -149.32 157.58 43.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.922 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mttt 60.22 36.88 20.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.06 140.05 30.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.048 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.1 m80 -133.59 106.73 7.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.1 m 60.19 29.96 19.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 86.4 m -95.42 152.79 18.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 70.0 mttt -120.49 138.21 53.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.85 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.93 128.16 31.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.6 mt -135.95 99.91 4.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.755 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 21.5 p -130.22 170.41 14.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.98 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.34 -179.95 35.21 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.436 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.419 ' HG3' ' CD1' ' A' ' 130' ' ' PHE . 36.8 Cg_endo -65.7 116.84 4.16 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.507 2.138 . . . . 0.0 112.295 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.0 p -59.97 158.58 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.2 t -64.58 -54.27 34.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -104.62 -79.21 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.059 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.5 m -158.73 -179.91 8.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.008 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 22.0 t -116.09 159.22 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -130.23 112.02 12.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.3 tp -113.41 142.47 45.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.787 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -167.15 144.7 4.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.952 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 61.51 40.05 14.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 54.3 m -108.92 146.32 33.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.5 t -146.98 124.65 11.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.96 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.7 31.12 20.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.0 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 76.5 m -101.75 160.81 14.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.51 89.99 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.1 tp -81.17 125.94 30.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.935 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -123.71 104.78 9.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.9 p -169.36 120.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.06 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.46 122.62 24.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.7 p -143.84 178.0 8.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.995 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -92.49 -30.56 15.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -144.55 155.29 43.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 57.3 tp -148.09 119.9 8.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -103.82 107.03 17.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.036 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.9 mt -102.26 147.23 9.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -153.86 137.61 16.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.058 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.6 m 57.51 30.64 19.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 32.4 m -105.92 135.39 47.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.6 ptpt -147.4 138.17 23.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 57.33 36.67 27.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.7 m -120.25 116.59 25.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -75.01 145.23 42.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.744 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 20.4 mt -142.25 104.1 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.15 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.403 ' CD2' ' HB2' ' A' ' 117' ' ' ALA . 39.5 m-85 -97.68 100.26 11.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.823 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -145.78 169.5 18.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -115.68 89.91 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.838 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 26.8 m -82.41 115.37 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.164 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 34.0 p -78.24 -30.27 48.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -100.65 -76.62 0.55 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.2 ptt85 -174.78 177.97 1.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -134.08 147.27 50.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 29.1 mt -107.03 147.61 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.5 m -145.46 119.74 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.163 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -126.65 130.8 51.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 59.56 29.72 19.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 14.3 m -106.24 163.94 12.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.5 m -167.71 130.79 1.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.01 28.13 50.9 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.525 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 26.7 mm -83.3 139.46 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.803 0.335 . . . . 0.0 111.082 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.94 116.81 31.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -102.61 125.17 49.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.403 ' HB2' ' CD2' ' A' ' 99' ' ' PHE . . . -144.66 149.18 42.58 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.426 ' HD3' ' CE3' ' A' ' 142' ' ' TRP . 45.4 Cg_exo -55.95 -168.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.597 2.198 . . . . 0.0 112.247 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -111.42 120.18 41.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.833 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 3.3 t -101.85 -29.21 11.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.42 99.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.009 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.1 m -139.75 174.25 10.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -154.7 164.69 20.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -50.91 -27.44 20.84 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.545 2.163 . . . . 0.0 112.317 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -124.66 62.82 1.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -109.62 -27.98 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.74 -31.33 71.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -62.75 -43.01 99.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.86 -48.33 82.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.419 ' CD1' ' HG3' ' A' ' 66' ' ' PRO . 12.6 m-85 -58.81 -32.08 69.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.48 -37.42 74.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.8 m -63.12 -31.62 72.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.01 -44.78 10.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.63 31.05 5.91 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.439 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 65.5 mt -89.15 152.39 21.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.804 0.335 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.11 128.09 33.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -97.11 -37.97 9.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 24.5 t -62.56 -34.45 76.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -73.59 161.6 30.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -176.16 85.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.837 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -104.25 52.18 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' TRP . . . . . 0.426 ' CE3' ' HD3' ' A' ' 118' ' ' PRO . 39.9 p-90 -77.83 -27.79 50.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.072 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.403 ' ND2' ' CE2' ' A' ' 142' ' ' TRP . 5.0 m-80 -60.43 -48.26 82.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.896 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -75.02 146.37 41.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.992 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.403 ' HB ' ' CE2' ' A' ' 160' ' ' TRP . 21.6 t -152.44 139.04 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.08 170.35 12.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.817 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -169.92 132.04 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.945 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -114.78 31.38 6.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -122.08 -43.43 2.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 61.4 t-105 -119.87 118.11 29.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.86 104.78 9.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -111.21 175.23 5.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.069 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -116.74 -40.51 3.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -105.22 -54.56 2.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 16.8 mmt -73.69 171.09 13.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -93.68 -167.32 1.67 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.046 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 4.3 t -104.33 90.19 3.05 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -68.97 63.63 1.34 Allowed 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.515 2.143 . . . . 0.0 112.24 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -131.52 -53.46 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.406 ' O ' ' CE3' ' A' ' 160' ' ' TRP . 68.3 p-90 -105.58 124.81 50.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 1.9 m -106.76 170.3 8.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 29.4 mt -106.35 159.06 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.056 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.8 tt -98.68 135.17 21.13 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.93 178.93 6.58 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.51 2.14 . . . . 0.0 112.377 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -81.75 -29.11 32.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.8 -30.82 70.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.96 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -96.61 -22.14 17.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.217 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.72 -30.15 42.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.083 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -73.73 123.47 24.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 29.1 mt -138.79 150.95 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -70.63 112.16 6.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' TRP . . . . . . . . . . . . . 22.7 m95 -105.87 111.17 23.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -76.06 144.54 40.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 18.1 t -167.97 145.39 4.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 61.26 156.12 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.49 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.64 -172.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.553 2.169 . . . . 0.0 112.257 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 44.4 t -128.16 32.51 4.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 65.4 m -128.7 157.1 42.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.085 0 CA-C-O 118.301 -1.277 . . . . 0.0 112.456 179.963 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m -104.58 -37.84 6.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.9 m -77.73 -69.35 0.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.85 -28.71 12.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.457 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.53 179.18 7.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.753 0.311 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.7 m -82.99 -40.62 19.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.67 -130.84 6.66 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.7 t -156.8 153.0 27.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.813 0.339 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 60.18 99.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.4 m -131.71 140.9 47.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.9 m -144.93 65.35 1.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.29 174.75 40.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.549 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -144.08 113.77 7.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.0 p -144.93 175.84 9.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.969 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 62.89 31.21 16.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.1 mt -116.06 145.35 43.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -145.54 132.66 20.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 m 60.62 31.74 20.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -116.53 173.75 6.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.4 t -128.88 128.16 67.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 33.6 mt -114.91 141.08 48.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -141.57 156.77 45.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -156.99 157.3 34.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.944 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.2 mmt-85 -116.25 167.32 11.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.807 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.15 -33.54 75.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.3 t -69.73 -33.59 72.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.98 -39.18 66.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 mt -85.44 -69.25 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 60.57 54.48 3.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 61.73 94.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -154.63 174.94 14.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -89.26 125.55 35.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -105.45 128.49 59.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.124 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.6 tp -126.12 127.16 45.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 mt -137.62 121.67 17.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.1 t -152.37 167.41 28.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.958 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 59.57 37.72 22.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.2 mt -108.68 148.11 30.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 m -148.52 114.62 5.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 61.36 30.84 19.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.9 t -106.99 135.95 47.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.31 139.06 30.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.48 141.31 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.195 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -155.82 124.43 5.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.0 mt -129.48 103.63 7.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -89.34 100.02 12.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 174.64 -133.29 2.44 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -151.87 67.95 7.32 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.958 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.42 158.2 5.92 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.518 2.146 . . . . 0.0 112.346 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -78.89 -63.97 1.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.8 m -135.44 106.58 6.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.9 tp -72.48 158.03 36.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.935 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -164.04 126.22 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.4 tp -139.16 126.23 21.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 51.1 p -149.38 159.6 44.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt 58.9 32.91 22.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.964 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.01 139.35 38.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -138.75 122.99 18.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m 60.37 30.67 20.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 36.4 m -109.54 155.87 20.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.1 mttt -118.92 141.44 48.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.0 tp -133.01 112.89 12.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.416 ' HB3' ' CZ2' ' A' ' 121' ' ' TRP . 5.9 mt -128.52 103.72 7.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 30.9 p -132.41 166.89 20.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.92 -179.87 16.83 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.423 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -61.39 120.1 7.58 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.699 2.266 . . . . 0.0 112.205 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.1 p -59.2 158.92 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.188 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.9 t -71.07 -51.56 24.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.2 p -113.43 -78.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.073 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.8 m -152.83 -179.95 8.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 22.0 t -125.42 158.88 33.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.418 ' CE2' ' HD2' ' A' ' 89' ' ' ARG . 6.9 m-85 -129.24 129.41 44.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.939 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.9 tp -124.75 134.95 52.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.809 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -161.49 141.07 10.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 61.78 39.45 13.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 63.3 m -111.5 135.66 51.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.29 133.18 20.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 60.17 39.0 19.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.9 m -115.13 159.35 21.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.5 89.99 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 tp -80.81 148.82 29.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -153.52 97.68 2.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.055 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.5 p -163.92 122.87 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.09 125.23 28.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.972 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.7 p -142.51 179.95 6.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.937 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -94.45 -42.33 8.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.758 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -126.72 156.34 41.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.746 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 24.4 tp -139.53 140.35 37.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.016 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.418 ' HD2' ' CE2' ' A' ' 72' ' ' PHE . 0.4 OUTLIER -131.8 103.52 6.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.8 mt -108.42 141.47 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.042 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -152.2 135.99 16.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m 58.09 33.27 23.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.072 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 89.1 m -104.75 143.82 32.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.868 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.7 pttm -156.44 135.95 12.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.945 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 58.9 34.58 23.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.961 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 22.6 m -115.42 99.96 7.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.58 130.39 44.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.757 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.8 mt -126.57 134.34 66.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.178 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.408 ' CD2' ' HB1' ' A' ' 117' ' ' ALA . 30.5 m-85 -126.33 102.72 7.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -150.12 169.87 20.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.991 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -126.78 89.95 3.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.798 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 21.6 m -68.3 132.75 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.191 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 p -107.67 29.65 7.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.795 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 m -162.63 -68.98 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.3 169.21 2.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -134.26 157.68 45.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.066 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.427 HG22 HD11 ' A' ' 107' ' ' ILE . 32.3 mt -128.26 139.82 50.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.2 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.2 m -143.38 122.98 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.056 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -133.69 136.83 44.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.4 t70 61.2 31.42 19.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.822 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 18.2 m -109.99 160.1 16.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.933 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 47.5 m -160.09 136.49 8.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.51 28.55 70.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.495 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 28.7 mm -78.25 146.85 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.845 0.355 . . . . 0.0 111.055 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.27 133.63 55.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -122.92 121.43 36.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.408 ' HB1' ' CD2' ' A' ' 99' ' ' PHE . . . -127.1 157.84 70.91 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.165 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.03 151.81 67.67 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.604 2.203 . . . . 0.0 112.302 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -89.35 124.24 34.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.8 t -140.33 66.34 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.416 ' CZ2' ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -113.44 90.52 3.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.4 m -92.91 152.04 19.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -151.97 166.34 15.47 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_exo -51.07 -27.29 21.3 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.536 2.157 . . . . 0.0 112.403 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -146.72 87.1 1.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.814 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 17.5 tt -109.48 -25.46 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.249 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.92 -48.78 75.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 10.7 mttp -63.99 -37.51 87.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.6 -35.56 79.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -75.57 -37.05 60.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.823 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -63.39 -39.48 94.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.2 m -61.52 -33.98 74.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 19.9 p -87.06 -32.74 19.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.99 31.04 29.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.472 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 45.0 mt -92.43 134.74 34.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -86.78 120.35 27.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.57 -42.86 33.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.0 -36.78 78.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -100.85 122.77 44.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -173.77 171.16 3.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -160.63 84.49 0.69 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.805 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' TRP . . . . . 0.404 ' CZ3' ' OD1' ' A' ' 143' ' ' ASN . 67.0 p-90 -84.99 -22.54 29.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.156 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.404 ' OD1' ' CZ3' ' A' ' 142' ' ' TRP . 25.6 m-20 -82.31 57.53 3.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.945 0.402 . . . . 0.0 110.957 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -170.16 111.89 0.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.811 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 21.3 t -130.28 121.67 51.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.183 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.66 104.05 16.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.798 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -85.03 152.56 23.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -109.3 29.86 7.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.006 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -122.06 -42.12 2.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 57.2 t-105 -107.19 162.64 13.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 3.7 tt -154.06 101.36 2.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -148.63 146.29 28.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.92 -31.38 16.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.979 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -108.73 -43.66 4.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.75 157.45 32.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.817 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -91.07 -174.37 3.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 3.1 m -101.6 94.78 4.54 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -68.41 65.98 1.11 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.485 2.123 . . . . 0.0 112.249 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -149.18 -61.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 62.3 p-90 -95.33 171.14 8.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 1.4 m -154.93 160.37 41.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 27.8 mt -99.39 133.79 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 22.6 tp -69.45 124.72 91.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.81 170.29 0.47 Allowed 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.355 2.037 . . . . 0.0 112.26 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -70.08 -42.85 72.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.751 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -59.88 -31.34 69.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -91.6 -23.72 19.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.065 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 4.0 mtm-85 -54.65 -47.6 73.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.873 0.368 . . . . 0.0 111.055 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -73.13 105.53 4.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 30.7 mt -105.62 155.34 6.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.023 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -92.49 99.46 12.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.972 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -74.85 -70.65 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -70.95 156.04 40.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 78.8 p -104.9 -30.22 9.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 114.21 67.73 0.47 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.554 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.28 -175.81 1.92 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.604 2.202 . . . . 0.0 112.323 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 5.2 m 59.38 162.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.941 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 40.0 p -135.87 136.11 40.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.414 -1.214 . . . . 0.0 112.44 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.7 t 60.31 79.21 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -131.17 -49.74 1.01 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.28 -78.95 0.67 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.531 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.17 172.89 8.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.837 0.351 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 p -129.68 -48.42 1.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.75 152.43 7.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.472 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.7 t -82.08 167.08 19.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.752 0.311 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -99.66 31.4 3.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.9 m -103.97 78.92 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.8 p -136.71 -46.42 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.013 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.3 -113.13 3.85 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.512 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -137.45 151.76 48.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.892 0.377 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.3 p -169.74 174.31 5.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 61.16 35.25 18.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 mt -119.67 148.32 43.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -146.05 125.29 12.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.23 35.38 20.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -113.96 163.5 15.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.1 t -122.31 109.77 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.077 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.9 mt -93.88 144.59 25.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -140.28 131.18 26.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -128.02 179.54 5.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.85 173.48 11.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.16 -31.05 71.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.117 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.67 -32.73 62.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -70.3 -52.2 24.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 mt -60.19 -58.61 7.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.948 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.6 t60 59.99 34.04 21.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 60.17 87.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 -153.19 163.12 40.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.3 132.32 49.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -111.34 123.77 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.137 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.7 tp -129.18 137.3 51.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.7 mp -144.65 138.18 27.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.1 t -162.84 167.88 22.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 61.09 38.73 16.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mt -112.71 136.99 51.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.63 111.99 12.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.4 t30 59.81 32.03 21.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.001 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.6 t -96.59 136.71 36.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.81 126.74 39.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.3 t -121.29 126.75 75.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.055 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -136.08 99.94 4.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.814 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.1 mt -98.76 140.19 33.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -126.99 131.26 51.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 134.14 -119.69 2.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.504 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -168.5 84.65 0.71 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.785 0.326 . . . . 0.0 110.777 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.27 164.88 34.23 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.531 2.154 . . . . 0.0 112.348 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.81 -69.66 0.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.2 m -136.85 113.99 10.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.0 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 27.8 tp -80.94 140.5 35.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -142.29 118.27 10.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 tp -121.0 132.35 54.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.0 p -153.53 155.21 35.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.052 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt 58.95 34.05 23.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.022 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.15 127.86 44.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -128.7 113.4 15.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.0 m 59.84 28.44 17.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.976 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 84.0 m -96.62 167.16 11.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.4 mttm -123.14 146.29 47.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.794 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 tt -152.25 125.1 8.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.3 mt -138.24 108.67 6.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.839 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 49.3 t -130.89 156.95 44.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.991 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.79 -179.81 16.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.411 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.26 112.59 1.28 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.572 2.181 . . . . 0.0 112.223 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.3 p -64.5 158.74 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.4 t -72.0 -52.97 14.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 p -98.57 -79.51 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.967 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.2 m -165.1 -179.97 6.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.938 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.6 t -121.61 157.87 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -117.61 159.17 23.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.976 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.1 tp -159.34 107.57 1.8 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -142.19 145.78 34.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 63.3 34.22 13.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 95.5 m -107.5 146.47 31.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 66.0 p -154.97 131.76 10.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 59.78 33.32 21.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.949 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.4 167.42 9.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.824 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -132.91 92.87 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.9 tp -90.66 153.68 20.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -157.97 97.26 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.994 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.3 p -165.33 131.92 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.057 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.68 135.03 39.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.07 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.4 p -153.43 147.19 25.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -41.49 91.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.3 171.12 14.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.993 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 21.5 tp -151.8 123.0 7.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.6 107.97 15.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 20.2 mt -112.02 154.15 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -165.04 138.47 4.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 60.0 m 60.05 35.31 21.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.2 m -113.04 154.34 26.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.22 137.87 3.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.94 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 59.92 39.83 19.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.972 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.38 113.76 20.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -75.59 129.33 37.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 19.9 mt -134.0 120.08 34.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -111.96 101.61 9.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -142.57 179.75 6.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -136.74 93.63 2.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.9 m -84.32 132.03 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.7 p -95.6 -31.14 13.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.5 m -89.42 -71.66 0.59 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -176.97 179.15 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.842 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -137.41 143.33 41.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.408 HD13 HG22 ' A' ' 107' ' ' ILE . 30.4 mm -116.67 135.46 56.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.7 m -141.09 124.09 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.18 133.32 50.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.3 t0 59.99 31.33 20.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 7.8 m -94.4 149.43 21.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.92 124.22 4.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.52 30.69 48.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.481 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 27.5 mm -87.87 156.69 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 111.122 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -128.98 139.86 51.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -130.36 134.86 47.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -154.15 152.63 26.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.093 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -51.84 157.06 6.09 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.594 2.196 . . . . 0.0 112.275 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 121' ' ' TRP . 19.5 t80 -63.06 158.34 19.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.971 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -148.67 97.53 2.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 119' ' ' TYR . 0.0 OUTLIER -173.27 144.8 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.1 m -123.52 155.54 37.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.439 ' CG ' ' HD2' ' A' ' 124' ' ' PRO . 0.1 OUTLIER -160.4 145.61 11.09 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.778 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 123' ' ' TYR . 25.8 Cg_endo -62.13 -32.98 83.27 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.498 2.132 . . . . 0.0 112.338 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -121.24 45.21 2.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.81 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.416 HG12 ' CE2' ' A' ' 130' ' ' PHE . 7.7 tt -83.97 -29.74 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.163 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.63 -31.36 68.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.994 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -87.29 -29.57 21.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -58.62 -54.79 43.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.416 ' CE2' HG12 ' A' ' 126' ' ' ILE . 22.5 m-85 -60.18 -45.96 91.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -63.68 -32.82 74.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 26.4 m -62.06 -64.29 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.31 -31.17 68.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.815 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.97 27.42 5.67 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.551 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 92.5 mt -89.91 172.74 8.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.832 0.348 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.54 155.68 38.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.81 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -106.08 -31.18 8.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.0 t -98.33 30.63 3.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.002 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -138.3 94.99 2.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -107.11 134.77 49.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -142.56 47.27 1.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.803 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' TRP . . . . . 0.407 ' O ' ' CE3' ' A' ' 142' ' ' TRP . 46.1 p-90 -96.78 39.43 1.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.966 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -130.29 -45.96 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.84 107.27 14.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 17.8 m -128.88 142.8 43.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.25 100.44 13.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -86.25 135.66 33.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -106.28 30.99 5.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -133.36 30.83 3.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.48 126.97 31.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 8.7 mt -116.52 35.53 4.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . 59.84 37.65 21.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.172 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -65.26 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -176.56 -71.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 2.1 tmm? -141.19 -51.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -95.78 167.04 11.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.025 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -127.92 135.28 27.25 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.98 60.75 6.23 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.554 2.169 . . . . 0.0 112.304 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -126.61 -51.97 1.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 41.7 p-90 -106.88 175.28 5.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 18.6 m -159.26 176.33 12.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 21.7 mt -117.3 158.6 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.077 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 25.4 tp -101.12 130.14 25.63 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.792 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.72 153.58 18.81 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.419 2.08 . . . . 0.0 112.18 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -30.81 70.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -73.24 -28.41 62.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -97.73 27.62 4.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.018 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -102.46 -30.19 11.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.941 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -70.99 93.91 1.04 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.961 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 27.6 mm -102.18 124.64 56.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.35 86.05 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' TRP . . . . . . . . . . . . . 60.0 m95 -62.22 -35.77 79.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.27 128.79 33.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 12.0 t -123.4 162.45 22.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -164.87 -155.43 8.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.516 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.24 -31.65 18.0 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.572 2.181 . . . . 0.0 112.289 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.04 -45.63 1.26 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 2.0 m 61.65 35.79 16.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.994 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.343 -1.254 . . . . 0.0 112.507 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.29 140.81 45.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.347 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.1 m 60.37 104.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.937 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.79 -82.64 0.48 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.497 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.2 m 60.53 87.48 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.774 0.321 . . . . 0.0 110.836 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.2 m -127.07 176.12 7.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.42 -164.41 34.79 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.448 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.1 t 60.65 167.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.832 0.349 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 21.9 m0 -77.0 94.64 4.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.1 t -126.71 86.34 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.068 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 82.0 m -150.99 110.17 3.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.69 -150.65 7.89 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -124.14 137.89 54.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.8 0.333 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 m -154.06 174.63 14.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 60.33 34.48 20.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.8 mt -132.86 140.31 47.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -143.17 150.56 39.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.961 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 m 59.59 32.53 21.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -121.66 168.38 11.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.6 110.31 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.0 mt -91.76 164.46 13.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -163.96 133.2 3.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -129.67 164.75 23.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -120.47 165.98 14.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.42 -43.88 97.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.052 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -66.53 -31.65 72.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -70.76 -40.27 72.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.5 mt -76.45 -61.66 1.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 60.53 43.16 13.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 63.65 78.15 0.3 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.837 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.74 -177.73 4.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -102.45 128.13 49.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -99.62 146.64 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 tp -149.16 102.74 3.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.9 mt -116.41 125.22 51.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.7 t -151.89 162.78 40.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.998 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 61.03 38.51 17.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.778 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 mt -120.81 137.78 54.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.88 127.77 23.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.702 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 61.01 30.43 19.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.6 t -115.37 107.37 15.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.5 m -69.74 138.26 52.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -130.85 140.02 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.3 mtt180 -141.05 125.99 18.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.4 mt -117.6 129.78 55.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -113.06 125.87 54.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 133.29 -137.35 9.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -151.8 87.23 4.43 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.721 0.296 . . . . 0.0 110.806 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -73.85 160.94 42.57 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.587 2.191 . . . . 0.0 112.4 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -69.12 -64.3 0.9 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.66 142.2 49.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.0 tp -109.62 122.81 48.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -129.77 115.19 16.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -130.96 128.81 41.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.3 p -150.29 162.52 40.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt 59.24 32.36 21.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.91 121.48 42.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -124.45 123.49 40.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.8 m 60.24 31.52 20.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.947 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 82.1 m -110.11 166.51 10.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -123.19 161.6 24.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -155.72 122.47 5.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.408 HD22 ' CH2' ' A' ' 172' ' ' TRP . 34.4 mt -130.83 99.96 5.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.753 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 45.5 t -126.12 154.74 42.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.023 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.31 -179.79 34.79 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.45 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -56.38 108.74 0.36 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.641 2.227 . . . . 0.0 112.102 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.9 p -57.36 158.73 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.142 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.4 m -73.91 -51.25 16.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -102.12 -79.85 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.996 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.84 -179.95 7.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 25.0 t -119.57 157.04 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.086 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -135.99 132.87 36.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.9 tp -125.43 145.4 50.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -165.48 139.07 4.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 60.85 40.0 16.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.959 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 9.1 m -110.2 148.2 32.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.5 p -159.43 132.59 7.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 59.88 30.47 20.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 t -104.96 160.69 14.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.979 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 30.3 t -125.45 89.95 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.974 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.0 tt -97.31 120.2 37.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -125.5 113.39 17.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.008 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.4 p -170.09 139.2 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.63 137.78 34.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.029 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 29.3 p -157.13 172.94 17.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.995 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -89.02 -42.21 11.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -129.1 163.47 25.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 21.5 tp -147.93 131.7 16.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -119.76 105.57 11.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 22.4 mt -103.38 147.23 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.133 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -160.2 132.65 6.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.983 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 m 58.75 29.04 18.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.008 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 76.8 m -97.42 133.54 41.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.813 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.6 ptmm? -147.57 133.47 19.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.77 40.06 23.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.058 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.9 m -120.05 111.17 17.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 -80.23 112.12 17.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.4 mp -113.38 113.47 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.421 ' CD2' ' HB3' ' A' ' 117' ' ' ALA . 12.9 m-85 -101.06 92.38 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.798 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -129.44 178.99 6.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.982 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -135.95 90.01 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.795 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 18.7 m -79.57 138.22 20.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.202 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.82 -30.56 8.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.803 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 36.4 m -92.14 -69.9 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.34 177.73 1.45 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -136.79 152.44 50.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 21.8 mt -127.73 130.05 70.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.3 m -131.28 131.01 63.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.078 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -139.59 130.96 26.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.1 t0 60.03 31.63 20.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 21.9 m -110.75 155.65 22.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.5 m -155.41 134.38 12.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.963 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 76.75 27.88 60.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.572 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.418 HG23 ' CE2' ' A' ' 116' ' ' PHE . 26.7 mm -81.23 127.05 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 111.096 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.91 121.9 45.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.96 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.418 ' CE2' HG23 ' A' ' 114' ' ' ILE . 97.3 m-85 -108.27 110.36 21.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.421 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . . . -121.26 146.5 44.76 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.038 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.45 -176.08 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.469 2.113 . . . . 0.0 112.347 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -93.65 101.39 13.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 40.6 p -83.34 -35.45 25.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.988 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.42 106.98 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -119.8 154.41 34.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.848 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -140.73 156.33 69.0 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.45 -53.56 6.68 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.481 2.121 . . . . 0.0 112.276 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.87 38.33 1.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 1.1 tp -76.16 -32.68 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.044 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.35 -48.19 81.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -60.26 -31.2 70.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -65.3 -46.9 78.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.956 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -64.59 -37.82 88.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -64.24 -31.6 72.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 18.3 m -60.41 -62.65 1.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 44.4 p -59.97 -34.05 72.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.2 28.09 5.64 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 83.5 mt -90.42 157.4 17.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.831 0.348 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -104.04 133.53 48.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.97 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -102.91 30.31 4.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.69 -61.49 1.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.958 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.44 130.56 35.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -140.85 121.06 13.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -123.54 51.64 1.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 45.2 p-90 -71.56 -31.25 66.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -62.41 -56.13 21.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.51 127.42 32.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 22.1 t -141.43 139.07 32.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -80.5 123.65 28.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.965 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.39 146.41 28.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -116.19 -61.84 1.67 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.781 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -81.98 77.89 8.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.82 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 10.1 t-105 -73.98 -70.51 0.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.976 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 3.3 mm? 53.86 88.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.14 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -178.19 -46.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 61.93 30.66 18.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.32 27.35 0.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.034 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 66.8 mtm 58.56 27.22 15.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.061 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -123.93 119.35 29.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.188 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.94 88.31 41.91 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -73.33 61.5 4.19 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.511 2.141 . . . . 0.0 112.414 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -123.75 -41.72 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 32.8 p-90 -118.55 135.27 54.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.836 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 68.6 m -134.57 173.46 11.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 30.7 mm -113.83 139.28 40.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 2.8 tp -79.4 138.43 55.52 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -67.86 148.12 76.1 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.447 2.098 . . . . 0.0 112.22 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.24 -27.71 64.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.032 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -70.2 -25.32 63.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.14 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -96.92 28.29 3.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.071 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -105.96 32.14 4.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -129.68 87.08 2.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 3.6 mp -105.67 149.72 8.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -94.16 127.65 40.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' TRP . . . . . 0.408 ' CH2' HD22 ' A' ' 63' ' ' LEU . 74.0 m95 -97.33 -69.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.954 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -97.26 -66.93 0.87 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 41.6 t -177.19 37.81 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 95.21 149.15 25.31 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.458 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.04 161.39 3.43 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.594 2.196 . . . . 0.0 112.312 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 3.6 m -105.6 106.55 17.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.3 m -121.22 111.48 17.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.43 -1.206 . . . . 0.0 112.535 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.125 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -124.16 37.94 4.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.68 144.2 28.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.77 89.78 2.09 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.535 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -144.02 30.1 1.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.787 0.327 . . . . 0.0 110.971 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m 58.92 30.77 20.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.77 109.99 1.14 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.523 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.0 p -172.73 122.65 0.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.416 ' CG ' ' HD2' ' A' ' 31' ' ' ARG . 25.8 t-105 -113.72 90.79 3.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.3 m -139.28 80.5 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -128.78 108.06 10.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.83 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -118.21 -153.0 9.46 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.535 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.409 ' CE1' HD22 ' A' ' 21' ' ' LEU . 7.7 m-85 -135.25 129.26 33.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.793 0.33 . . . . 0.0 110.851 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.0 p -152.73 172.23 17.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 35.9 m120 60.35 37.66 20.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mt -116.06 143.58 45.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -142.69 124.41 15.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.4 m 60.87 37.29 18.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -117.67 168.74 10.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.6 t -134.39 115.54 20.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.409 HD22 ' CE1' ' A' ' 13' ' ' PHE . 2.0 mt -104.2 156.23 18.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -147.42 111.21 5.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -105.7 179.43 4.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.29 -179.99 7.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -49.46 77.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.7 -33.01 73.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -33.89 67.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.845 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mt -83.3 -43.58 15.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.3 t60 59.71 24.83 13.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.046 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.07 84.08 0.08 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.009 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.416 ' HD2' ' CG ' ' A' ' 9' ' ' TRP . 45.0 mtt-85 -159.59 -178.75 7.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -69.26 149.2 48.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.88 158.55 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -145.55 128.84 16.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.2 mt -144.89 118.15 8.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.5 t -152.82 170.21 20.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 60.48 35.25 20.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mt -108.83 133.55 52.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 m -137.48 122.99 19.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 59.36 31.22 20.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.5 t -110.41 163.97 13.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.8 m -128.77 142.99 50.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.18 132.84 66.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.137 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -126.09 100.01 6.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.6 mt -96.9 116.65 29.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.955 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -107.96 100.17 9.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 157.38 -147.73 16.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -142.26 83.84 11.93 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.726 0.298 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.86 172.45 12.72 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.56 2.173 . . . . 0.0 112.34 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -82.32 -66.76 0.85 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.969 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.17 108.65 8.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.997 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 41.3 tp -83.23 146.73 28.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.71 131.02 23.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.3 tp -142.37 103.3 4.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.6 p -133.49 161.97 33.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp 60.37 39.56 18.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.18 151.27 23.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.046 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -149.01 112.87 5.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 m 60.91 37.14 18.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 16.5 m -116.25 143.07 46.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.968 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -107.9 136.78 47.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 tt -132.97 134.32 44.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.971 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.41 HD21 ' CE3' ' A' ' 172' ' ' TRP . 1.0 OUTLIER -133.59 120.14 20.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.813 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 51.5 t -142.83 155.82 44.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.35 -179.86 38.54 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.441 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -57.11 106.29 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.751 2.301 . . . . 0.0 112.163 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.9 p -58.17 158.82 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.266 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.4 t -69.45 -54.89 12.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.23 -77.15 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.2 m -164.93 179.98 6.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.4 t -127.19 144.47 37.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -111.99 146.19 38.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.2 tp -142.9 135.09 27.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -160.44 148.3 16.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.025 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.02 39.74 19.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 73.9 m -118.19 131.78 56.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.8 p -138.96 139.09 37.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 59.86 30.93 20.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 77.6 m -106.3 162.59 13.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.59 90.36 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.078 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 33.3 tp -87.21 152.77 22.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -156.53 99.49 1.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.044 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.3 p -159.23 122.74 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.046 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.23 138.71 57.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 28.8 p -163.89 154.72 15.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -39.31 84.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -132.08 146.95 52.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 49.9 tp -128.6 105.58 8.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 70.8 mtm-85 -93.83 117.53 30.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.4 mt -125.15 137.48 57.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -150.64 134.91 17.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.94 36.51 12.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 32.1 m -110.22 146.12 36.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -158.11 133.72 8.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.988 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.4 t0 59.24 38.24 23.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.0 m -121.58 102.89 8.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.984 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -67.44 141.14 57.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 24.4 mt -138.81 116.45 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.413 ' CZ ' HD23 ' A' ' 163' ' ' LEU . 5.3 m-85 -104.37 95.82 6.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -142.47 172.19 13.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -124.11 102.92 7.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 8.1 m -89.42 121.27 39.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 47.0 p -77.53 -32.0 53.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 m -102.28 -71.58 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -174.73 167.14 3.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -111.34 126.29 54.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 21.3 mt -88.89 122.41 40.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.074 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 19.8 m -127.82 156.74 39.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -168.25 126.63 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.919 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 60.74 31.57 20.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 85.5 m -114.34 128.51 56.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.83 139.53 47.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.36 28.42 57.88 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 25.0 mm -85.01 147.76 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.834 0.349 . . . . 0.0 111.11 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -125.18 116.67 22.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -99.38 165.73 11.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.945 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.41 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . . . -169.97 152.38 4.39 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.09 145.51 49.7 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.599 2.199 . . . . 0.0 112.284 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.415 ' CZ ' ' HB2' ' A' ' 121' ' ' TRP . 38.6 t80 -83.82 133.98 34.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.1 p -160.04 42.0 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.996 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.415 ' HB2' ' CZ ' ' A' ' 119' ' ' TYR . 0.1 OUTLIER -61.97 163.13 8.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 49.2 m -118.04 123.75 46.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.441 ' CG ' ' HD2' ' A' ' 124' ' ' PRO . 2.2 t80 -161.26 140.79 7.84 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.441 ' HD2' ' CG ' ' A' ' 123' ' ' TYR . 30.8 Cg_endo -63.64 -23.16 70.11 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.467 2.111 . . . . 0.0 112.308 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -121.26 53.9 1.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 9.0 tt -110.02 -44.71 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.167 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -65.03 -32.69 74.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.961 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -79.03 -35.1 43.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.92 -34.73 75.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.27 -32.3 73.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -77.6 -39.99 43.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.6 m -60.23 -31.63 70.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 76.8 p -79.85 -43.51 22.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 102.47 31.03 5.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.534 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 12.1 mt -106.41 150.78 25.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.754 0.311 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.93 130.78 42.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -93.81 -33.86 13.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.1 m -68.53 -37.93 80.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.62 105.24 9.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -118.59 163.38 16.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -176.22 40.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 60.9 p-90 -72.4 -27.81 62.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -57.3 -30.79 65.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.049 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.57 109.89 22.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.811 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 21.6 t -116.55 143.04 27.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -90.56 115.56 27.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.801 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -103.09 125.43 49.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.973 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -98.72 33.38 2.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -144.89 31.22 1.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -80.07 106.12 11.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -108.1 32.23 4.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -123.05 174.99 6.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.072 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.91 -44.99 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -153.79 79.43 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 2.5 ptp -176.53 156.28 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -70.67 161.06 31.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.107 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 3.4 m -115.31 103.48 54.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -68.8 63.99 1.28 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.4 2.067 . . . . 0.0 112.302 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -119.0 -41.09 2.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.809 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 31.6 p-90 -116.65 115.75 26.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.3 175.6 6.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 28.7 mt -127.01 139.87 50.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.096 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.413 HD23 ' CZ ' ' A' ' 99' ' ' PHE . 5.5 tp -65.56 139.96 97.36 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.33 -167.75 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.454 2.103 . . . . 0.0 112.221 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -99.92 -29.19 12.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.994 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -71.28 -25.58 62.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -93.54 17.34 11.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.411 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.91 -31.01 31.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -72.0 77.6 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.947 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 10.1 mt -102.73 133.14 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.079 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -86.0 109.95 19.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' TRP . . . . . 0.41 ' CE3' HD21 ' A' ' 63' ' ' LEU . 86.6 m95 -78.09 -34.74 50.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.964 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.49 -177.04 6.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 40.2 t -133.72 126.48 30.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 135.77 88.1 0.25 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.549 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.78 116.65 4.66 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.631 2.22 . . . . 0.0 112.288 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 38.8 m -98.78 32.24 2.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 35.0 m -151.67 158.28 43.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.421 -1.21 . . . . 0.0 112.445 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 t 67.39 -70.03 0.12 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.729 0.3 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.7 m -131.96 113.66 13.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.45 -79.69 0.26 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.555 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.3 m 60.31 87.17 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.745 0.307 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.2 p -107.61 57.0 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.929 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.51 79.31 0.27 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.551 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.3 t -111.19 -33.57 6.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -140.72 45.17 1.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.93 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.8 t -94.38 45.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -145.22 131.06 19.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -100.37 -102.49 2.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.52 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -153.51 148.09 26.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.8 m -160.62 173.13 15.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.0 m120 60.6 39.76 17.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 mt -125.93 164.78 20.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.969 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -170.06 134.72 1.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.5 33.55 20.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -120.28 170.29 9.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.35 111.39 16.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.111 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.8 mt -106.3 171.74 7.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -151.24 126.46 9.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -115.8 141.39 48.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 ttt85 -116.71 168.61 10.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.14 -31.02 68.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.161 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.6 m -73.12 -34.06 65.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -72.45 -40.11 67.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.805 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 mt -84.94 -67.27 0.81 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.8 t60 58.26 51.61 8.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.993 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 60.08 69.2 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.93 153.83 44.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.837 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.94 138.79 58.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.66 116.43 52.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.0 tp -106.26 125.9 51.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.962 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.1 mt -143.36 115.66 8.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 t -153.87 168.54 26.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.992 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 60.58 39.54 17.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.6 mp -111.7 168.22 9.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.55 112.83 1.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 60.72 31.46 20.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -97.38 127.72 43.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.02 133.84 37.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.6 t -139.93 142.27 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.173 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -133.08 105.07 6.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.5 mt -90.09 143.64 26.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -139.08 112.65 8.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 146.01 -152.78 24.84 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.471 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -133.42 65.34 71.96 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.776 0.322 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.16 176.91 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.573 2.182 . . . . 0.0 112.334 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -86.61 -57.5 2.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -142.77 141.31 31.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.4 tp -107.59 129.65 54.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -128.25 135.45 49.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.4 tp -149.72 119.28 6.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.6 p -144.87 157.17 44.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.6 mttm 59.37 30.51 20.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.49 162.92 15.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -163.2 113.78 1.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.7 m 61.03 31.26 19.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 81.1 m -104.6 137.21 42.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -105.76 136.47 45.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.6 tp -139.81 128.1 22.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.964 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.2 mt -131.44 102.95 6.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.7 t -125.37 152.85 44.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.73 -179.87 15.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.484 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.88 109.89 0.49 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.688 2.258 . . . . 0.0 112.199 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.0 p -57.5 158.6 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.256 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 m -72.39 -51.43 20.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.6 p -104.1 -79.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.069 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.05 -179.99 7.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.976 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 28.6 t -115.92 159.04 16.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.051 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -131.16 130.18 42.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.946 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.2 tp -131.5 140.48 49.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.831 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -165.51 137.55 4.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.97 40.0 12.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 70.7 m -111.2 140.66 45.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.6 p -151.72 136.87 17.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 59.59 33.71 22.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 20.2 m -107.01 162.55 13.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.952 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -126.78 91.04 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 tp -92.58 149.3 21.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -156.13 104.47 2.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.028 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.5 p -169.59 127.58 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.16 146.48 45.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 30.6 p -163.37 172.67 14.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.968 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.59 -42.13 17.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.948 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -133.02 158.53 42.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 44.0 tp -135.16 143.32 46.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.4 ttp85 -137.4 123.7 20.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.96 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 17.2 mt -128.23 154.72 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.064 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -158.69 130.85 6.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.003 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.7 m 58.91 38.02 24.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.03 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 74.4 m -111.64 146.73 36.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.48 141.35 9.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 60.62 35.62 19.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 38.3 m -115.6 131.55 56.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -92.91 124.5 36.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.0 mp -130.94 115.72 31.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.047 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -105.92 96.93 6.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -140.07 166.97 23.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -123.73 90.66 3.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 31.0 m -71.09 135.87 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 64.8 p -104.61 -31.24 9.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.7 m -94.55 -77.14 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.934 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -163.66 171.96 14.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -129.58 139.76 51.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.067 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.417 HD11 HG21 ' A' ' 107' ' ' ILE . 31.0 mt -117.11 131.0 71.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.159 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 6.3 m -145.05 111.7 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -129.85 143.74 50.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 60.54 31.35 20.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 37.9 m -118.15 165.59 13.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -166.16 137.51 3.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.55 29.25 64.0 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 30.5 mm -80.48 156.8 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.801 0.334 . . . . 0.0 111.09 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.16 120.71 39.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -112.77 117.72 32.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -144.24 153.64 56.42 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.97 160.95 47.8 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.579 2.186 . . . . 0.0 112.315 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -74.61 134.79 42.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 9.9 m -143.9 104.04 4.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -164.79 65.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 23.0 m -65.36 127.16 30.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -132.8 158.29 76.16 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.17 -40.9 68.07 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.562 2.175 . . . . 0.0 112.217 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -124.27 69.44 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -107.66 -29.36 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.061 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -58.6 -28.23 65.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.16 -31.59 61.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -65.67 -44.04 87.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -68.04 -31.52 71.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -67.07 -34.39 77.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.972 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.2 m -59.98 -62.54 1.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 24.0 p -60.37 -43.01 96.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.33 28.4 8.57 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.471 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 11.0 mt -84.25 -179.06 7.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.776 0.322 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -118.25 137.47 53.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.931 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -93.98 -38.15 11.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 8.9 p -65.41 -40.86 93.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -77.9 128.14 33.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -139.04 150.28 45.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -158.93 37.18 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 -70.87 -31.63 68.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -63.09 -33.02 74.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -82.26 127.23 32.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 21.4 t -144.44 133.53 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.062 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -86.12 158.52 19.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.984 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -143.68 137.82 28.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -106.33 -41.45 5.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -60.33 -41.7 94.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 65.2 t-105 -98.63 163.26 12.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -169.51 108.28 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -155.78 149.72 25.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -55.93 21.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -138.24 77.54 1.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.51 166.22 30.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -89.77 154.03 20.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 3.6 m -110.98 100.59 47.21 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.64 64.03 1.22 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.469 2.113 . . . . 0.0 112.307 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -134.24 -46.61 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 59.8 p-90 -126.26 144.8 50.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -133.97 155.86 49.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 30.6 mt -89.59 138.51 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 4.2 tp -75.25 133.07 75.27 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.79 177.54 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.378 2.052 . . . . 0.0 112.253 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -95.15 47.54 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -132.35 -45.68 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.956 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -98.82 30.38 3.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.042 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -86.33 -45.84 10.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -95.96 74.04 3.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 2.4 mp -68.93 136.37 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.87 112.78 9.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' TRP . . . . . . . . . . . . . 20.0 m95 -98.78 30.69 3.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -122.93 147.63 46.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 92.9 p -167.42 137.91 2.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -92.84 105.28 3.28 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.468 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.28 -47.3 2.32 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.439 2.093 . . . . 0.0 112.276 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 18.8 p -176.28 40.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.953 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 9.3 m 60.72 111.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.427 -1.207 . . . . 0.0 112.499 -179.92 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -101.66 31.61 3.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 m -90.74 143.42 26.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.92 53.76 0.55 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.497 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -73.11 138.0 45.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.826 0.346 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.1 p -159.44 -45.41 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.17 -175.34 34.82 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.462 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.2 p -139.3 -178.24 5.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.801 0.334 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -168.15 -43.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.945 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.1 m -86.5 142.66 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.8 t -148.3 -53.22 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.09 -150.07 16.94 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.41 ' CG ' HD12 ' A' ' 21' ' ' LEU . 44.5 m-85 -129.98 143.6 50.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.751 0.31 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.8 p -162.68 173.12 14.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.4 m120 60.15 37.38 20.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 mt -123.21 141.64 51.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -139.55 124.14 18.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 t 60.52 32.82 20.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -110.04 171.41 7.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.8 121.68 60.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.12 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.41 HD12 ' CG ' ' A' ' 13' ' ' PHE . 11.7 mt -118.06 158.15 25.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.47 142.31 4.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.6 mtmm -139.9 153.49 46.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -113.16 172.4 6.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.97 -31.15 69.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.056 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 m -66.29 -33.04 74.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -82.17 -54.1 5.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.787 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.2 mt -66.65 -62.66 1.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.005 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.0 t60 60.8 42.39 13.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.941 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 61.02 83.01 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -151.51 157.92 42.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -68.49 145.59 53.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -138.7 121.04 17.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.9 tp -107.93 129.33 55.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.961 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 mt -125.55 137.19 53.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 t -167.96 168.81 11.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 61.36 39.36 15.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.6 mt -109.94 159.62 17.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.6 t -160.47 113.69 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 60.13 30.03 19.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.018 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.2 t -97.71 146.21 25.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.13 128.85 56.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.69 130.34 56.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.12 100.01 4.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.3 mt -86.95 156.84 19.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -144.29 100.2 3.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 167.71 -119.4 0.84 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.552 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -168.17 84.93 0.73 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.735 0.303 . . . . 0.0 110.833 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.7 -179.92 3.7 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.524 2.15 . . . . 0.0 112.325 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.99 -62.83 1.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.4 106.92 5.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 59.4 tp -83.07 144.79 29.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -147.94 124.74 11.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.2 tp -128.01 121.89 30.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.8 p -144.49 158.72 43.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.998 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.5 mtmm 60.15 39.93 18.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -113.84 139.3 49.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.059 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -138.0 126.65 23.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.8 m 58.33 27.02 14.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.052 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 22.0 m -103.96 158.26 16.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -125.46 123.56 39.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.2 tp -122.14 132.24 54.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.8 mt -136.35 123.17 21.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.812 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 41.9 t -145.11 156.19 43.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.033 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.46 -179.91 19.58 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.53 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -62.27 109.92 0.94 Allowed 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.684 2.256 . . . . 0.0 112.164 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.8 p -62.67 158.49 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.116 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.0 t -67.16 -53.55 29.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.956 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.08 -76.85 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.99 -179.93 3.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.94 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.5 t -122.94 159.11 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -125.38 157.92 35.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.9 tp -151.84 123.76 8.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.822 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -146.6 141.65 27.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.054 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.8 35.23 19.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.7 m -104.84 135.01 47.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.7 m -145.19 134.15 22.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 60.02 29.72 19.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.66 168.65 9.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -128.01 89.96 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.045 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 23.8 tp -87.44 139.56 30.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -153.19 103.5 2.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.04 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.9 p -166.57 116.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.94 139.51 58.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.042 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 6.0 p -163.71 177.52 8.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -90.92 -30.91 16.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.983 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -138.03 146.92 43.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 18.7 tp -140.0 117.37 11.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -105.54 116.2 31.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 6.9 mt -120.43 137.04 55.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.416 ' CD2' ' HB3' ' A' ' 109' ' ' GLU . 75.7 m80 -148.41 143.16 26.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.88 30.04 15.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 56.0 m -104.01 141.4 36.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.29 140.74 17.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.3 t0 60.7 30.25 19.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.9 m -115.91 120.72 40.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.403 ' HB3' ' CE1' ' A' ' 99' ' ' PHE . 91.6 mtt180 -87.61 121.11 29.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.6 mp -116.03 112.6 40.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.076 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.403 ' CE1' ' HB3' ' A' ' 97' ' ' ARG . 16.4 m-85 -105.5 102.0 11.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.402 ' CD2' ' N ' ' A' ' 100' ' ' LEU . 2.1 pt? -149.36 172.61 14.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.83 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -120.1 95.13 4.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 9.1 m -74.04 131.22 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 76.9 p -100.27 -31.33 11.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.938 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.53 -69.96 0.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -178.14 155.96 0.98 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -112.56 136.67 51.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 31.3 mt -105.21 139.16 27.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.129 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 16.8 m -144.74 147.88 18.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.416 ' HB3' ' CD2' ' A' ' 91' ' ' HIS . 1.8 tm-20 -168.52 141.05 2.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 61.34 29.89 18.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 84.5 m -106.81 173.98 6.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.974 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.5 m -169.98 118.84 0.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.09 38.97 17.32 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.529 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.415 HG23 ' CE1' ' A' ' 116' ' ' PHE . 25.8 mm -86.87 142.99 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.368 . . . . 0.0 111.078 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -114.54 122.47 46.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.415 ' CE1' HG23 ' A' ' 114' ' ' ILE . 40.2 m-85 -112.99 109.17 18.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -126.74 155.2 75.52 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.422 ' HG3' ' CE2' ' A' ' 142' ' ' TRP . 52.4 Cg_exo -54.71 161.49 5.97 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.634 2.222 . . . . 0.0 112.246 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -71.35 122.82 20.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 17.8 p -133.29 102.97 5.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -174.16 131.23 0.39 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.4 t 60.9 -173.63 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.418 ' CB ' ' HD3' ' A' ' 124' ' ' PRO . 0.1 OUTLIER -179.71 -52.81 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.978 179.896 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.418 ' HD3' ' CB ' ' A' ' 123' ' ' TYR . 38.2 Cg_exo -60.33 -32.41 94.06 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.38 2.053 . . . . 0.0 112.285 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -133.35 52.37 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 5.9 tp -109.92 -36.28 2.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -62.97 -30.4 71.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -67.11 -31.78 72.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -70.86 -50.0 40.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -60.8 -31.75 71.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -77.33 -37.25 52.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 74.2 m -63.36 -55.38 24.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.2 -42.01 97.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 102.09 28.6 6.44 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.568 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 8.6 mt -91.95 179.6 5.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.756 0.313 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.19 144.63 32.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 52.7 mtm180 -101.13 -38.61 8.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 67.4 m -86.93 -40.09 15.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.04 90.43 3.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -158.52 157.41 32.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.813 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -149.73 100.91 3.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' TRP . . . . . 0.422 ' CE2' ' HG3' ' A' ' 118' ' ' PRO . 57.3 p-90 -100.51 30.54 3.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -135.03 31.71 3.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -163.82 105.94 0.94 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 28.6 m -125.08 169.42 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -102.39 115.69 31.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -92.6 147.91 22.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -100.8 -61.76 1.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -79.72 72.05 6.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -82.47 120.98 26.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.3 mt -123.1 30.4 6.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -141.3 160.77 39.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.109 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.89 -7.01 11.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.335 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.37 28.2 3.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.771 0.32 . . . . 0.0 111.012 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 1.2 ttt 57.27 40.19 28.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.053 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -125.06 143.54 50.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 17.7 m -131.34 87.98 45.55 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -68.68 65.0 1.23 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.542 2.161 . . . . 0.0 112.281 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -135.88 -48.93 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.799 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 66.8 p-90 -117.49 134.06 55.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 7.3 m -112.99 179.97 3.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 32.9 mt -117.68 139.57 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 14.6 tp -68.52 137.63 90.97 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.824 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -69.1 -174.79 0.83 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.457 2.104 . . . . 0.0 112.25 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -102.07 31.61 3.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -113.18 -36.64 4.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -113.3 34.63 4.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -62.16 1.73 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -77.25 113.41 14.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 1.8 mp -113.53 138.65 42.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -67.11 -178.18 0.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' TRP . . . . . . . . . . . . . 78.7 m95 -150.6 88.95 1.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.97 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.76 123.7 33.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 19.1 t -88.67 142.83 27.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -170.32 134.89 3.3 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.357 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.22 -62.09 0.34 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.521 2.147 . . . . 0.0 112.315 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.72 -32.5 16.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.8 m 60.97 97.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.341 -1.255 . . . . 0.0 112.424 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.159 0 N-CA-C 112.567 -0.213 . . . . 0.0 112.567 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -108.15 -177.3 3.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.96 121.42 26.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.45 32.3 57.94 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.431 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.4 p -155.88 174.33 15.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.878 0.371 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.75 -49.81 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.93 177.78 48.19 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.555 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m -168.0 62.43 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.927 0.394 . . . . 0.0 110.813 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.405 ' CZ2' ' HD2' ' A' ' 31' ' ' ARG . 0.9 OUTLIER -55.0 -29.1 56.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.5 m -90.27 111.94 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.18 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 48.8 t -160.57 -51.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.82 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.81 176.11 21.06 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -101.25 131.53 47.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.824 0.345 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.55 171.27 20.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 62.99 32.94 15.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.7 mt -123.45 172.82 8.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -169.86 135.39 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.5 p 58.53 34.39 23.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.988 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -110.31 171.5 7.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.29 103.09 10.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.042 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.9 mt -92.57 170.36 9.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -168.63 134.56 1.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -136.19 167.37 21.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.16 175.82 10.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.5 -41.41 89.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.189 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.6 t -62.01 -31.34 71.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -88.55 -37.98 15.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.947 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mt -86.08 -70.62 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 61.47 50.43 4.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 60.31 80.08 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.963 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.405 ' HD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.5 mmt180 -144.47 169.04 18.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -76.37 132.33 39.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -122.34 129.12 75.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 29.4 tp -131.79 133.76 45.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mt -134.27 113.06 11.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.5 t -145.67 166.73 24.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 60.23 34.95 20.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.9 mt -119.87 150.99 39.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.974 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.3 125.04 12.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.863 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 60.79 31.07 20.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 24.3 t -110.18 117.86 34.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.1 m -87.51 145.58 26.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -135.49 135.86 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.129 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.8 mtp85 -128.86 109.81 11.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 mt -109.16 136.24 48.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -133.5 102.21 5.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 172.09 -109.46 0.31 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.534 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -176.2 66.19 0.23 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.869 0.366 . . . . 0.0 110.841 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.5 167.07 0.62 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.63 2.22 . . . . 0.0 112.299 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -77.78 -62.7 1.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -144.7 110.76 5.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.849 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.5 tp -72.6 153.54 41.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.0 ttm-85 -159.11 118.99 3.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.6 tp -126.33 125.09 41.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.751 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.8 p -148.0 154.37 40.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.977 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.7 mmtt 59.34 35.73 23.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.966 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.09 142.51 35.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.059 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -144.86 127.64 16.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.5 m 58.79 30.24 19.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.033 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.2 m -113.12 141.27 47.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -105.58 129.31 53.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.8 tp -120.01 128.03 53.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mt -138.69 120.68 15.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.811 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.0 p -155.01 163.27 40.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.48 -179.97 24.34 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.439 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.404 ' HG3' ' CD1' ' A' ' 130' ' ' PHE . 22.7 Cg_endo -61.23 126.33 19.12 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.621 2.214 . . . . 0.0 112.274 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.7 p -67.96 149.05 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.133 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 m -60.27 -52.88 63.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.1 -78.79 0.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.79 179.97 7.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.7 t -121.88 158.66 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -134.89 131.38 37.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.8 tp -122.38 140.3 52.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.803 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -164.12 136.16 4.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.978 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.27 40.05 9.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 53.4 m -113.74 135.93 53.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.8 p -146.99 136.54 22.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.792 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 60.03 37.07 21.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.75 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -114.82 156.77 24.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.78 89.96 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.023 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.4 tp -84.34 150.31 25.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.006 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -155.18 102.26 2.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.962 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.1 p -164.23 119.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.159 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.91 107.39 4.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.175 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 24.8 p -128.83 147.87 50.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -59.14 -44.62 92.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -131.03 146.86 52.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.3 tp -130.46 129.29 42.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.26 111.1 17.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.5 mt -110.2 155.13 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.036 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -167.94 140.24 3.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.3 m 57.29 31.06 19.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 30.5 m -102.89 139.94 37.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.963 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 46.4 tttm -146.75 128.16 14.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.01 39.07 20.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.0 m -113.88 113.18 24.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 51.5 mtt85 -80.0 125.52 29.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.7 mp -123.49 112.57 33.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.18 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -105.77 92.04 4.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -134.6 175.77 9.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.992 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -126.94 89.93 3.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.793 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 8.9 m -77.82 135.87 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 17.2 p -105.69 -31.58 8.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.01 -72.81 0.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -173.3 170.84 4.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -131.93 143.57 50.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.012 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 6.7 mt -119.54 149.65 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 17.2 m -146.8 117.56 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.401 ' OE2' ' CD2' ' A' ' 148' ' ' PHE . 9.8 mt-10 -125.41 129.31 49.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.3 t70 61.12 31.53 19.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 21.9 m -104.31 166.49 10.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.97 143.03 2.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 61.61 34.33 88.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.543 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 28.6 mm -85.36 140.9 15.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 0.0 111.102 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.4 111.81 22.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -96.24 151.61 19.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -168.47 154.9 6.96 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.92 177.23 5.9 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.547 2.164 . . . . 0.0 112.266 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -80.0 103.64 10.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 7.2 t -96.76 41.23 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -131.25 130.65 43.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.9 t -136.83 156.44 48.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -153.73 165.39 17.92 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.39 -28.31 53.05 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.552 2.168 . . . . 0.0 112.284 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -125.24 63.91 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 9.4 tp -95.48 -30.69 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -73.93 -21.42 60.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.176 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -75.15 -32.27 61.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.863 0.363 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -65.71 -44.9 84.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.404 ' CD1' ' HG3' ' A' ' 66' ' ' PRO . 5.9 m-85 -67.81 -31.16 70.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -74.05 -39.13 63.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.3 m -60.19 -45.37 93.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 58.8 p -81.54 -31.11 32.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 99.37 28.27 7.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.5 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 85.9 mt -94.66 156.86 16.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.828 0.347 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -100.5 157.03 16.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.35 -32.17 10.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.72 -46.77 88.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -60.42 122.55 14.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -142.37 85.89 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.923 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -113.55 84.33 2.0 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 38.3 p-90 -105.97 35.07 3.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -126.47 -43.04 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -56.62 108.76 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.113 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 9.5 p -143.32 146.34 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -105.43 121.29 43.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.05 125.04 44.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.401 ' CD2' ' OE2' ' A' ' 109' ' ' GLU . 34.5 m-85 -111.24 39.06 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -138.54 -48.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -118.57 132.47 56.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.49 93.07 6.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -108.08 105.38 15.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.113 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -111.07 27.73 9.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.71 -44.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.855 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 20.9 ptp -89.38 -173.94 4.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -90.84 154.35 19.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 3.1 t -103.4 94.31 5.73 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -68.75 63.54 1.26 Allowed 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.478 2.119 . . . . 0.0 112.343 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -135.84 -47.19 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 14.9 p-90 -120.86 144.59 48.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.796 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -138.27 155.28 48.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.99 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 7.1 mt -91.38 146.57 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.992 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 2.2 tt -75.08 133.86 75.01 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.58 154.51 35.26 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.523 2.148 . . . . 0.0 112.363 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 19.9 mp0 -65.86 -30.17 70.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -67.04 -27.44 67.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.038 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -104.77 28.74 6.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.145 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -105.91 32.86 4.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.978 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -101.08 88.45 3.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' ILE . . . . . 0.407 ' HB ' ' CZ2' ' A' ' 172' ' ' TRP . 21.4 mt -109.28 139.07 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.073 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -80.35 114.59 19.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' TRP . . . . . 0.407 ' CZ2' ' HB ' ' A' ' 170' ' ' ILE . 23.5 m95 -98.09 -47.81 5.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -166.08 -43.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 85.2 p -104.31 39.56 1.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.847 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -67.13 143.94 43.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.462 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.39 60.53 5.75 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.607 2.205 . . . . 0.0 112.407 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.68 -53.57 0.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.74 139.24 45.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.421 -1.21 . . . . 0.0 112.456 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -81.08 159.8 24.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.788 0.328 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.4 p -148.94 31.5 0.78 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.3 58.17 0.47 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 p -154.3 155.19 34.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.779 0.323 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -63.89 121.46 14.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.66 171.85 27.16 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.1 t -111.89 85.97 2.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.831 0.348 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 28.5 m95 -115.64 -74.48 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.2 m -73.6 150.4 7.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 72.3 m -104.96 171.42 7.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 163.83 114.92 0.31 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.463 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -139.28 115.06 10.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 0.0 110.847 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.4 m -143.11 169.43 17.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 61.29 31.32 19.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.5 mt -112.72 157.23 21.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -158.35 132.52 7.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.1 m 60.35 35.95 20.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -116.04 169.05 9.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.6 t -129.05 110.98 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.0 mt -108.9 142.76 39.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.35 134.28 29.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -126.69 161.19 28.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -123.7 172.98 8.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.27 -30.57 71.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.138 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.56 -31.75 63.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -74.06 -35.8 64.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mp -95.19 -70.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 60.61 50.04 6.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.97 89.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 -155.65 170.1 22.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -75.18 133.18 41.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.8 t -128.77 148.06 33.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.188 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.0 tp -142.19 132.59 25.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.4 mt -142.57 112.76 7.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.7 t -143.62 169.97 16.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 61.04 39.14 16.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 75.9 mt -107.64 145.54 33.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.1 m -145.58 114.72 7.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 61.62 30.99 18.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.1 t -101.77 134.3 45.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.4 m -102.86 127.72 49.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.4 t -132.74 141.21 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.5 mtt-85 -132.57 104.18 6.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 53.5 mt -90.57 125.69 35.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -121.92 109.35 14.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 155.07 -114.68 0.62 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.435 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -175.95 79.1 0.29 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.331 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -56.26 -173.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.57 2.18 . . . . 0.0 112.331 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -105.41 -47.26 3.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.34 99.99 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 46.5 tp -77.19 140.68 40.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.14 111.16 5.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.9 tp -116.31 132.24 56.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.8 p -152.79 155.35 36.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.964 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.71 36.87 22.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.52 142.23 34.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -143.74 120.57 11.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.5 m 59.69 29.52 19.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.963 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 59.3 m -105.87 152.75 22.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -117.9 126.96 53.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.836 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.5 tp -125.29 113.31 17.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.422 HD12 ' CE3' ' A' ' 172' ' ' TRP . 5.8 mt -115.73 104.89 12.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.776 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 51.2 t -131.85 153.56 50.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.038 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.76 -179.83 36.5 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.458 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -56.9 109.78 0.5 Allowed 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.666 2.244 . . . . 0.0 112.086 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.5 p -57.38 158.14 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.186 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.8 t -63.7 -54.21 39.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -104.78 -76.63 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.67 -179.98 7.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.947 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.3 t -124.67 158.66 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -132.75 139.89 47.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.9 tp -130.28 143.13 50.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -165.03 140.46 5.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 62.2 39.07 13.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 65.4 m -112.0 132.48 54.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.2 m -141.94 134.0 27.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.961 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 60.68 35.78 19.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -109.67 175.42 5.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.6 t -143.6 89.99 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.123 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.2 tp -88.08 139.22 30.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -141.92 98.69 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.8 p -165.98 130.62 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.038 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.71 144.54 50.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.066 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.0 p -166.38 142.53 4.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -55.63 -52.29 64.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.83 141.6 51.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.3 tp -121.52 131.42 54.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -118.13 126.21 51.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 22.4 mt -127.19 155.08 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.086 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.411 ' CD2' ' HB2' ' A' ' 109' ' ' GLU . 2.9 t-80 -165.13 134.47 3.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.981 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.5 m 59.71 31.57 20.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.927 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 28.2 m -105.68 141.21 37.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.58 139.28 13.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 59.74 31.47 20.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 11.8 m -115.57 128.06 55.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 65.9 mtt-85 -83.35 148.47 27.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 15.4 mt -150.44 115.51 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.159 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -112.95 99.96 8.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -143.34 -179.97 6.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -134.86 99.87 4.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.767 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 10.3 m -93.52 136.67 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.29 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 60.4 p -96.78 -33.42 11.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.86 -75.96 0.35 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.4 ptt-85 -177.84 171.17 1.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -125.33 145.18 50.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.971 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 26.0 mt -121.59 150.44 24.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.243 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.5 m -148.25 139.97 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.411 ' HB2' ' CD2' ' A' ' 91' ' ' HIS . 21.7 mt-10 -136.04 129.17 31.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.963 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.17 32.7 22.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 66.1 m -100.48 157.15 16.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 42.4 m -159.94 126.63 4.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.64 36.15 54.22 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.508 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 28.8 mm -81.95 158.75 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.853 0.359 . . . . 0.0 111.088 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.24 132.67 56.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -130.79 100.17 5.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.8 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -127.48 155.1 77.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.43 175.14 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.568 2.179 . . . . 0.0 112.308 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -84.9 116.83 23.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 58.1 p -104.59 97.27 7.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -176.71 97.08 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.18 159.06 15.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.437 ' CG ' ' HD2' ' A' ' 124' ' ' PRO . 0.0 OUTLIER -179.84 148.9 0.5 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.437 ' HD2' ' CG ' ' A' ' 123' ' ' TYR . 30.4 Cg_endo -63.48 -27.16 70.22 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.529 2.153 . . . . 0.0 112.266 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -110.87 36.36 3.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.832 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 3.9 tp -83.42 -35.21 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.81 -32.21 59.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -44.35 90.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.24 -41.82 99.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -59.75 -32.41 70.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -71.88 -47.12 55.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.6 m -60.41 -31.39 70.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 5.9 p -76.14 -52.57 9.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 112.69 27.78 3.69 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.466 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 87.3 mt -111.17 161.77 15.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.814 0.34 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -118.01 154.15 32.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -117.36 29.73 7.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.7 t -121.62 25.73 9.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.055 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -120.31 -67.05 1.01 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.822 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 35.6 m120 60.91 112.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.989 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -146.17 54.1 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.837 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 36.9 p-90 -99.48 30.78 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.807 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -119.1 -41.19 2.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.71 129.1 34.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 15.5 m -142.79 176.94 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -125.28 112.87 16.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -72.6 164.32 26.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -163.47 36.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -159.77 -45.44 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 43.6 t-105 -115.12 135.15 54.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 9.2 mt -83.35 161.21 21.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -128.5 111.85 13.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.7 -54.44 1.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -129.51 -45.89 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.8 165.35 24.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -76.42 -175.2 3.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 8.2 t -121.63 93.73 48.62 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.61 -7.14 20.6 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.55 2.167 . . . . 0.0 112.729 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -52.89 -30.47 34.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.762 0.315 . . . . 0.0 111.097 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 30.3 p-90 -148.9 129.05 13.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.74 143.42 50.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 31.5 mt -92.04 138.23 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 4.9 tp -76.29 134.97 69.86 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.2 177.11 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.465 2.11 . . . . 0.0 112.213 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -98.44 28.71 3.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -115.92 -35.65 4.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -97.49 35.51 1.63 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -89.39 -31.15 17.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -70.04 97.25 1.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 4.1 mt -123.74 118.15 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.052 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.18 105.32 4.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' TRP . . . . . 0.422 ' CE3' HD12 ' A' ' 63' ' ' LEU . 91.3 m95 -69.89 -45.47 67.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -62.24 144.07 56.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 1.3 m -162.6 109.6 1.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 99.62 115.79 3.75 Favored Glycine 0 CA--C 1.519 0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.374 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -51.15 134.83 44.5 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.441 2.094 . . . . 0.0 112.403 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 2.6 t -159.42 -46.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 97.6 p -167.34 85.88 0.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.43 -1.206 . . . . 0.0 112.465 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 N-CA-C 112.555 -0.218 . . . . 0.0 112.555 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 p -146.39 -48.54 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 110.938 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.54 118.59 13.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.19 155.94 15.31 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.537 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.6 m -74.72 154.72 38.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.93 -53.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.5 73.96 0.15 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.7 m -79.22 -44.2 22.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.791 0.329 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -99.54 92.6 5.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.806 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.37 89.17 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -109.36 119.73 40.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -138.38 138.86 9.82 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.515 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -102.73 115.6 30.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.3 p -142.27 174.55 10.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 60.53 31.1 20.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 mt -113.48 149.47 34.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.2 mp0 -154.26 129.49 9.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.2 m 60.8 38.17 18.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -119.96 171.44 8.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.6 t -122.1 103.77 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.085 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.1 mt -101.83 142.39 33.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -141.85 147.99 38.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -133.96 176.63 8.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.979 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.23 159.82 42.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.72 -35.32 79.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.7 t -60.33 -33.2 72.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.94 -44.7 10.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.9 mt -67.6 -60.7 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 60.44 45.21 11.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 61.27 80.74 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.2 mtt85 -149.77 158.51 44.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -63.17 148.99 46.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.06 128.32 71.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 tp -116.51 122.66 45.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.4 mt -138.84 111.77 7.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.7 t -150.18 173.86 13.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 60.3 37.48 20.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.955 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 38.1 mt -110.69 149.01 31.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 m -149.53 119.22 7.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 59.45 29.65 19.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.004 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 51.3 t -109.1 149.51 29.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 p -109.91 141.06 43.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.0 t -143.37 136.7 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -138.98 103.72 4.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.2 mt -87.9 140.02 29.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -124.6 135.39 53.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 129.23 -112.8 1.41 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.457 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -176.5 85.87 0.27 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 120.747 0.308 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.56 171.57 15.08 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.573 2.182 . . . . 0.0 112.308 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -88.01 -48.75 7.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.6 117.71 8.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.5 tp -95.17 123.78 38.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.788 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -125.73 126.52 44.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.1 tp -132.07 120.99 23.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.821 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.5 p -146.52 157.3 43.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.944 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt 60.25 37.94 20.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.79 140.61 36.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.057 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -141.61 119.69 12.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.6 m 59.32 27.19 16.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.078 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 13.8 m -106.88 159.09 16.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -124.08 149.98 45.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.817 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.4 tp -141.72 127.71 19.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.5 mt -131.52 99.99 5.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.737 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 53.0 t -124.37 156.26 37.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.07 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.31 -179.73 34.68 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.448 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.412 ' HG3' ' CE1' ' A' ' 130' ' ' PHE . 12.2 Cg_endo -55.76 111.75 0.86 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.643 2.229 . . . . 0.0 112.19 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.1 p -61.69 158.72 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.113 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.7 t -70.39 -51.89 26.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.32 -76.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.27 178.52 7.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.8 t -120.48 141.29 41.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.008 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -117.45 123.85 47.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.978 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.43 133.81 54.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -155.58 142.76 19.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 61.02 39.8 15.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.946 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 49.4 m -112.02 135.03 53.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.57 138.1 28.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.974 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 59.28 29.27 18.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 69.7 m -106.32 157.38 17.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.4 t -125.05 89.94 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.964 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 tp -83.84 150.18 25.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -152.61 99.1 2.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.093 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.0 p -169.14 128.96 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.96 141.63 40.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.5 p -153.82 167.15 30.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.15 -31.87 38.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -150.31 130.79 13.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 34.2 tp -103.54 144.04 31.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.947 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -128.56 104.92 7.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 9.6 mt -109.33 147.64 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.064 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -160.32 130.96 5.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.975 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 m 59.77 31.68 20.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.5 m -101.67 149.09 24.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.25 131.76 5.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 59.2 35.78 23.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 60.4 m -113.36 111.87 22.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -69.91 121.2 16.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 22.9 mt -125.5 104.3 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -98.51 108.15 20.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -151.97 179.97 8.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -138.48 90.06 2.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.807 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 16.6 m -80.52 144.31 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 75.6 p -107.68 -29.46 9.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.7 m -93.9 -76.75 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.1 mtt85 -166.33 172.7 10.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.963 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -134.69 113.25 11.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.039 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.414 HG23 ' CE1' ' A' ' 148' ' ' PHE . 2.7 mp -81.88 139.04 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.0 m -145.33 122.0 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.086 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -125.64 131.99 52.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.85 31.41 21.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 62.5 m -96.16 148.94 22.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.24 134.37 11.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.923 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.41 36.03 92.69 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.559 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.405 HD12 HG23 ' A' ' 114' ' ' ILE . 28.1 mm -78.24 138.99 19.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.847 0.356 . . . . 0.0 111.05 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.84 100.38 11.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.837 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -96.9 133.08 42.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -156.97 158.45 31.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.48 150.79 70.34 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.503 2.135 . . . . 0.0 112.338 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -60.24 148.12 37.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 29.7 m -143.11 91.48 2.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -175.26 98.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.4 m -104.42 146.81 28.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.958 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.421 ' CG ' ' HD2' ' A' ' 124' ' ' PRO . 0.2 OUTLIER -132.5 161.06 65.52 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.757 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 123' ' ' TYR . 41.5 Cg_endo -67.59 -26.93 39.4 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.589 2.193 . . . . 0.0 112.211 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -127.29 39.65 3.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.784 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 2.5 tt -83.13 -26.93 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.196 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.56 -30.42 60.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.09 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -78.58 -31.07 47.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.794 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.66 -49.85 67.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.412 ' CE1' ' HG3' ' A' ' 66' ' ' PRO . 7.0 m-85 -62.77 -32.48 73.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -70.11 -46.03 65.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.2 m -65.64 -35.84 81.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.2 p -76.95 -31.92 56.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.86 28.45 38.06 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.521 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 12.5 mt -79.23 -178.72 6.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.78 0.324 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.65 147.66 43.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -132.56 46.46 2.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.755 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 7.6 t -152.61 -44.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.03 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -50.9 -75.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.168 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 6.6 m120 59.79 109.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -151.9 34.79 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 59.5 p-90 -59.09 -28.66 66.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.032 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -60.06 -32.61 71.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.938 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.94 126.2 33.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 7.2 m -143.93 144.44 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -92.62 119.37 31.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -98.76 120.99 40.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.414 ' CE1' HG23 ' A' ' 107' ' ' ILE . 38.6 m-85 -100.15 31.36 3.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -127.16 -48.43 1.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 26.8 t-105 -125.63 102.04 7.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.47 135.74 57.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -74.78 105.45 5.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -111.41 -74.63 0.64 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -125.83 -44.96 1.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 6.6 mmm -98.42 141.95 30.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -66.6 163.18 19.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 31.4 m -103.15 92.93 4.12 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -68.67 63.64 1.23 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.517 2.145 . . . . 0.0 112.283 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -100.22 -59.54 1.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 47.5 p-90 -99.52 173.73 6.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.788 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.62 158.81 43.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.949 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 23.0 mt -103.86 152.52 6.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.07 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 27.3 tp -87.03 115.59 63.12 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.11 -175.3 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.371 2.047 . . . . 0.0 112.339 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.49 63.04 2.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.813 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -153.37 -44.58 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -98.0 31.03 2.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -88.83 -28.61 20.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.939 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -80.18 107.2 12.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 3.1 mp -120.2 131.59 72.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 10.0 pm0 -71.88 102.63 2.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' TRP . . . . . . . . . . . . . 26.0 m95 -79.45 -53.66 6.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -133.69 98.89 4.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.89 -64.2 1.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 73.21 140.05 0.42 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.523 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.52 -168.29 0.52 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.556 2.17 . . . . 0.0 112.37 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.15 54.19 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -100.01 122.91 43.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.359 -1.245 . . . . 0.0 112.461 179.96 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 p -111.27 -61.62 1.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 0.0 110.931 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -112.73 -178.31 3.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.2 -85.0 0.26 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.513 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.19 128.08 36.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.834 0.35 . . . . 0.0 110.85 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 t -168.29 -178.74 3.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.66 177.14 45.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.445 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.7 p -96.18 177.06 5.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.802 0.334 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 79.9 m95 -85.28 159.42 20.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.5 t 61.13 78.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.3 t -163.77 113.99 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -96.65 -151.41 27.96 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.515 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -117.38 150.24 39.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.799 0.333 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 72.1 p -169.44 167.83 9.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.0 m120 60.76 34.12 19.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.5 mt -116.33 141.5 48.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -142.01 133.6 26.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.7 m 59.83 31.54 20.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -108.83 172.16 7.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.05 109.57 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.5 mt -99.58 142.56 30.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -139.49 137.01 35.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -140.98 150.68 43.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -121.95 179.98 4.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.62 -35.5 72.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.57 -34.74 67.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.32 -30.71 54.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.7 mt -84.0 -59.81 2.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 64.87 31.76 11.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.734 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 62.0 77.62 0.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.948 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.42 177.28 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.93 137.4 36.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.959 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -120.66 106.43 18.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.082 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.0 tp -93.34 124.92 37.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.4 mt -136.95 107.68 6.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.0 t -148.35 168.14 23.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.963 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 60.0 39.38 20.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -111.04 173.53 6.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.2 m -170.0 113.8 0.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 63.21 35.77 12.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.5 t -109.5 120.17 41.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.29 141.48 30.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.6 t -140.1 126.63 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -128.16 99.94 5.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.5 mt -93.61 155.29 17.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -139.75 112.65 8.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 143.82 -132.67 5.01 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.536 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -152.2 86.32 4.46 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 120.7 0.286 . . . . 0.0 110.846 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.02 156.75 61.92 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.577 2.185 . . . . 0.0 112.261 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.81 -67.84 0.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.9 m -136.9 120.45 17.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 23.4 tp -91.5 130.87 37.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.0 131.16 36.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.8 tp -143.32 113.94 7.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.6 p -137.96 155.41 48.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.27 31.49 19.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.975 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.89 148.75 22.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -142.07 118.17 10.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 75.4 m 59.62 28.45 17.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.975 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 36.1 m -103.04 137.46 41.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -103.8 156.12 18.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.5 tp -154.64 119.01 4.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.944 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.403 ' HB3' ' CZ2' ' A' ' 121' ' ' TRP . 98.2 mt -126.83 99.98 5.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 53.8 t -131.62 156.24 46.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.951 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.9 -179.86 7.6 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.54 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.1 122.35 11.56 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.641 2.228 . . . . 0.0 112.297 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.5 p -64.78 159.07 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 m -74.04 -51.93 14.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.1 p -100.16 -79.1 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.002 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.2 m -163.89 -179.93 6.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.1 t -130.67 142.05 44.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -116.94 164.04 15.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.6 tp -152.02 138.4 18.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.769 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -155.99 135.12 12.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.077 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.25 39.97 18.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.994 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.8 m -108.65 135.83 49.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.7 t -148.51 137.44 21.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 58.72 29.04 18.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.992 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 31.7 m -106.72 150.44 26.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.39 90.07 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.074 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.3 tt -100.96 123.97 45.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -130.17 110.07 11.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.7 m -160.48 128.93 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.71 133.18 42.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.032 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.7 p -153.3 165.43 35.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -81.12 -36.43 30.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -133.26 150.51 51.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.833 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 15.8 tp -125.59 148.65 48.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -140.43 119.19 12.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 27.3 mt -125.76 156.27 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -166.21 135.52 3.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.4 m 55.21 28.54 11.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.192 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 90.2 m -97.14 138.15 35.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.781 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -147.26 128.75 14.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.953 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.06 40.07 22.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.968 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.3 m -112.15 102.21 10.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.956 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -66.06 127.23 31.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.807 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.5 mt -129.05 124.84 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.154 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.451 ' CD2' ' CB ' ' A' ' 117' ' ' ALA . 12.5 m-85 -113.65 89.95 3.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.71 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -131.1 178.9 6.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.075 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -138.81 89.98 2.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.723 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 15.1 m -74.0 136.12 26.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.174 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 52.8 p -95.35 -31.4 13.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.86 -78.52 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.1 -179.98 8.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -141.27 144.91 34.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.999 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 23.4 mt -110.88 145.44 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.203 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.8 m -155.91 126.97 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -141.01 143.61 34.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 59.9 30.7 20.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 19.6 m -108.47 160.52 15.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.76 124.53 3.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.94 30.64 42.16 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.528 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 26.6 mm -81.97 133.24 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.792 0.329 . . . . 0.0 111.192 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -109.29 116.35 31.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -99.0 107.44 19.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.451 ' CB ' ' CD2' ' A' ' 99' ' ' PHE . . . -110.21 152.11 42.98 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.135 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.72 152.54 58.91 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.655 2.237 . . . . 0.0 112.344 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -94.96 99.97 11.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.803 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 4.3 p -114.94 30.83 7.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.981 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.403 ' CZ2' ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -79.43 81.85 5.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.765 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 39.2 m -82.3 162.24 22.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.429 ' CD2' ' HD2' ' A' ' 124' ' ' PRO . 0.2 OUTLIER -151.74 148.73 22.36 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.777 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.429 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 77.0 Cg_exo -50.12 -27.8 18.01 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.55 2.166 . . . . 0.0 112.31 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -135.34 62.25 1.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.686 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -103.88 -21.68 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.36 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -52.98 -30.82 37.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.057 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -77.3 -31.07 54.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.827 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.74 -55.61 21.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -64.81 -41.13 96.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -60.11 -42.4 94.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 73.2 m -60.91 -50.94 71.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 91.9 p -69.05 -40.39 78.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 94.96 30.9 8.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.504 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 30.1 mt -98.99 175.04 6.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -115.16 150.72 35.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.8 -35.47 9.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 9.3 t -69.07 -52.32 29.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 15.5 mmtt -59.81 124.44 20.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.807 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -142.02 139.03 32.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.982 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -135.23 25.71 3.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.0 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 13.6 p-90 -63.85 -29.91 71.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.959 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -62.06 -50.7 70.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -82.68 138.75 34.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 21.5 t -146.41 132.3 13.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.118 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -77.48 138.34 39.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -125.35 169.38 12.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -136.31 -47.12 0.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.947 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -73.97 75.72 1.68 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 17.6 t90 -131.7 129.79 41.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.39 31.74 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -85.62 -48.45 8.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.033 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 60.39 32.19 20.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -175.69 -40.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 1.7 mtp -116.12 155.41 28.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -58.26 -171.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.195 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 75.7 m -105.0 90.96 3.97 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.71 62.5 2.3 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.534 2.156 . . . . 0.0 112.327 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -112.49 -43.42 3.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.818 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 57.8 p-90 -109.42 173.48 6.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.73 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -151.01 164.69 35.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 23.8 mt -107.06 125.47 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.031 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 6.6 tp -60.41 135.51 91.57 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.15 -169.81 0.43 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.503 2.135 . . . . 0.0 112.261 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -91.46 -31.62 15.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -65.97 -30.65 71.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -90.38 -28.13 18.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.013 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.96 -30.77 64.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.959 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -71.23 87.25 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 5.9 mt -124.45 139.17 51.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.053 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -96.2 166.41 11.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -119.47 40.74 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.06 39.82 1.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 2.7 m -89.8 52.52 2.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -140.68 104.44 0.39 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.465 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.47 139.33 48.88 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.508 2.139 . . . . 0.0 112.293 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.26 122.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 20.0 p -154.22 135.98 14.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.5 -179.965 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.35 -66.58 1.03 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.864 0.364 . . . . 0.0 110.956 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.7 p -60.31 -51.14 70.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.34 -136.51 13.25 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.533 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.3 t -162.67 151.17 14.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.836 0.351 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -63.67 -52.53 60.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.27 66.59 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.546 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.3 t -85.04 113.87 21.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -106.02 -179.47 3.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.2 t -140.53 35.18 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.069 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -153.3 102.49 2.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.31 -80.16 1.31 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.495 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -143.74 142.77 31.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.886 0.374 . . . . 0.0 110.821 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.6 p -166.19 170.28 13.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 61.73 33.04 18.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.4 mt -114.13 156.82 23.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -153.6 137.97 16.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.06 36.78 21.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -130.17 170.83 13.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.57 120.19 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.8 mt -100.61 151.08 22.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -144.25 149.4 36.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -154.29 161.7 41.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -135.68 176.49 8.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.07 -31.0 71.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.143 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -68.79 -33.68 74.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -85.74 -39.37 17.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.5 mt -74.61 -66.18 0.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.956 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 60.57 42.67 13.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 61.85 74.66 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.93 176.99 8.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -92.77 122.27 35.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.6 t -93.71 119.01 40.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.8 tp -116.88 104.66 11.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 55.7 mt -122.38 110.42 15.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.2 t -141.45 169.29 17.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 60.31 39.71 18.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.3 mt -118.35 149.19 41.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 m -146.81 121.41 9.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.836 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 60.64 34.46 20.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.7 t -112.95 118.1 33.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.9 m -75.81 140.34 42.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.59 122.47 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -127.11 99.99 5.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.8 mt -99.09 162.79 12.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -145.64 140.14 27.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.82 -138.54 11.84 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -147.33 79.15 9.87 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.683 0.278 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.66 -179.66 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.59 2.194 . . . . 0.0 112.294 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -100.67 -46.54 5.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -155.31 99.96 2.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.2 tp -71.66 144.12 49.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -148.46 134.97 19.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.3 tp -142.06 123.02 14.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.0 p -145.85 158.57 43.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm 59.77 30.85 20.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.86 161.39 13.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.057 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -165.68 121.79 1.35 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.6 m 60.27 31.36 20.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.988 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 34.1 m -111.4 149.36 31.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -113.3 124.28 52.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.8 tp -114.3 126.56 55.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.421 HD21 ' CZ2' ' A' ' 172' ' ' TRP . 2.4 mt -134.95 103.64 5.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 52.7 t -134.9 156.26 49.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.006 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.57 -179.84 9.02 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.414 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -60.69 121.73 10.17 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.607 2.205 . . . . 0.0 112.237 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.2 p -70.54 158.56 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.28 -54.73 32.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 p -106.57 -75.25 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.2 m -161.97 -179.97 7.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.7 t -115.68 157.45 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.412 ' CE1' ' HD2' ' A' ' 89' ' ' ARG . 0.4 OUTLIER -120.35 139.53 52.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.8 tp -138.68 123.97 19.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -149.28 138.67 21.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 61.9 37.37 15.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 28.8 m -106.52 140.3 39.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.0 t -152.59 134.67 14.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.973 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 60.49 38.12 19.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 42.1 m -116.5 167.47 11.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 20.3 t -132.66 90.72 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.054 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.58 123.89 32.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -127.13 98.38 5.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.7 p -157.86 124.64 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.95 147.18 43.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 23.0 p -169.38 -179.94 3.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -94.81 -31.7 13.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.15 161.63 36.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.826 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 20.7 tp -143.01 151.0 40.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.412 ' HD2' ' CE1' ' A' ' 72' ' ' PHE . 3.5 mtt180 -140.59 122.8 15.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.7 mt -127.57 158.31 39.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.03 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -168.61 138.92 2.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 59.32 30.41 20.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 49.0 m -104.95 135.11 46.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.4 ttpp -143.12 131.21 21.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.2 t0 59.84 39.4 20.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 23.2 m -111.05 142.05 43.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.5 mtm-85 -99.91 136.64 39.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 19.9 mt -137.94 108.95 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.066 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.418 ' CZ ' HD23 ' A' ' 163' ' ' LEU . 7.4 m-85 -106.87 95.8 5.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.935 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -141.43 170.78 15.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -123.34 90.0 3.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.849 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 8.7 m -76.83 120.78 27.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.178 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 28.3 p -77.57 -31.24 52.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.2 m -101.7 -75.25 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.2 165.38 2.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -110.0 179.26 4.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 23.9 mt -148.64 139.15 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.4 m -137.7 146.52 27.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -149.18 129.27 13.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.44 33.13 20.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 70.9 m -102.35 170.13 8.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -170.0 122.29 0.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.65 32.93 39.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.518 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 27.0 mm -79.84 153.71 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.819 0.342 . . . . 0.0 111.072 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -120.84 115.08 22.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -102.71 123.79 47.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -142.08 158.61 61.3 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.031 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.09 164.19 35.78 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.616 2.211 . . . . 0.0 112.295 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -68.16 147.73 51.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 21.9 p -148.48 90.93 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -175.66 117.81 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.403 ' O ' ' CG ' ' A' ' 123' ' ' TYR . 3.7 m -130.86 177.29 7.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.022 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.403 ' CG ' ' O ' ' A' ' 122' ' ' SER . 3.6 m-85 -170.92 165.33 4.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.811 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -47.5 -45.82 22.07 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.676 2.25 . . . . 0.0 112.451 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -118.55 72.84 0.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.855 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 8.5 tp -93.1 -29.54 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.146 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.07 -40.46 85.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -31.96 69.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.59 -65.52 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.425 ' CD2' ' HD2' ' A' ' 137' ' ' ARG . 76.5 m-85 -59.21 -33.03 70.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -71.37 -34.95 70.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.3 m -69.15 -31.4 70.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 45.5 p -84.63 -45.38 12.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 108.49 31.71 3.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.7 mt -100.21 170.61 8.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 0.0 110.918 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.92 146.52 46.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.425 ' HD2' ' CD2' ' A' ' 130' ' ' PHE . 9.0 mtp180 -115.15 31.35 6.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 14.0 m -127.09 19.59 7.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -146.8 101.05 3.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.25 142.36 32.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.985 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -155.37 39.58 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 33.9 p-90 -66.85 -32.49 73.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -63.89 -47.02 82.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.26 119.61 8.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.957 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 6.2 m -152.24 148.22 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -97.78 169.94 9.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -137.64 163.39 31.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -147.58 42.6 1.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -158.84 -45.64 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 57.0 t-105 -111.02 142.56 42.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.14 134.51 52.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -108.29 45.88 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -113.11 94.2 4.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.6 35.95 19.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -156.79 126.72 6.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -67.97 119.55 12.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.096 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.52 111.46 9.63 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.41 -15.79 47.56 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.483 2.122 . . . . 0.0 112.504 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -50.06 -45.4 52.36 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.264 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -124.45 169.54 11.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.049 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 1.6 p -145.88 179.97 7.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 24.3 mt -113.41 138.29 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.418 HD23 ' CZ ' ' A' ' 99' ' ' PHE . 3.4 tp -68.03 128.56 93.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.25 171.43 0.39 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.461 2.108 . . . . 0.0 112.249 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -101.52 28.03 5.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -119.74 -37.81 3.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -96.39 37.89 1.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.974 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.38 -38.12 16.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -90.02 88.52 7.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.807 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 2.6 mt -98.13 -28.24 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.266 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 64.35 172.79 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' TRP . . . . . 0.421 ' CZ2' HD21 ' A' ' 63' ' ' LEU . 82.3 m95 -137.65 82.45 1.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -176.44 -60.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 3.5 m 60.68 -179.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.964 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -72.08 114.27 4.92 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.51 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -51.08 -30.98 33.54 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.425 2.083 . . . . 0.0 112.335 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.3 30.07 3.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 20.7 t 58.63 -169.71 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.956 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.42 -1.211 . . . . 0.0 112.515 -179.973 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -149.6 177.43 9.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 p -169.83 168.02 9.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.14 173.32 43.44 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.505 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.6 p -171.92 -43.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.351 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -101.85 -57.18 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.92 -34.84 0.22 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.413 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.1 t -160.0 177.1 11.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.349 . . . . 0.0 110.95 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -159.55 38.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.3 81.22 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.209 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.7 t -112.64 -60.27 1.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.37 -140.98 30.4 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.535 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -132.52 148.25 52.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.818 0.342 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.3 m -164.5 169.89 16.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 29.4 m120 60.75 39.9 16.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.1 mt -125.09 151.77 45.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -149.1 127.23 12.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.71 34.13 20.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -108.2 174.91 5.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.3 t -127.07 126.19 67.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.052 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.5 mt -120.21 142.93 48.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -142.71 140.85 31.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -141.22 146.72 37.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.25 178.79 4.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.77 -31.37 72.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.3 -34.26 67.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -76.76 -46.49 24.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mt -72.15 -73.76 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.2 t60 61.29 51.72 4.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 59.63 74.12 0.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.979 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.52 167.23 20.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.58 103.12 15.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.851 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.9 t -76.94 120.25 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.2 tp -111.91 134.44 53.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.0 mt -141.67 113.97 8.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.1 t -145.97 162.57 37.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 60.04 33.21 21.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 40.5 mt -110.77 141.52 43.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.3 m -150.68 123.61 8.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 60.52 37.35 19.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 49.1 t -117.2 141.85 47.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.0 m -94.47 131.52 40.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.6 t -127.27 128.21 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.6 mtp85 -128.26 144.32 51.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.0 mt -142.53 150.68 40.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -143.71 102.12 3.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 163.21 -132.78 2.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.445 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -160.73 83.66 1.99 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.714 0.292 . . . . 0.0 110.844 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.89 175.08 10.22 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.57 2.18 . . . . 0.0 112.304 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.75 -67.64 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.55 123.37 33.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 34.5 tp -99.14 131.83 44.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -143.21 137.17 28.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.958 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -139.37 118.01 12.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.6 p -136.37 159.66 41.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.028 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.65 37.51 25.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.014 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -108.48 135.14 50.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.131 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -135.79 121.4 19.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.3 m 60.7 27.93 17.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.963 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 61.0 m -103.16 169.25 8.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -135.63 146.09 47.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.5 tp -142.87 117.15 9.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.1 mt -120.54 101.27 7.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.797 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 38.4 t -129.84 157.13 43.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.026 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.9 -179.8 11.96 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.444 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.421 ' HG3' ' CD1' ' A' ' 130' ' ' PHE . 18.4 Cg_endo -58.93 117.52 4.25 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.583 2.189 . . . . 0.0 112.247 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.8 p -58.66 158.89 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.2 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.1 t -70.93 -52.17 21.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.42 -77.93 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.081 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.56 -179.94 8.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.983 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.0 t -124.77 159.8 30.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.085 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -130.73 156.44 44.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.2 tp -154.8 109.53 3.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -139.86 143.43 36.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.047 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.96 34.73 13.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 85.8 m -113.18 153.34 28.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.8 m -162.69 139.33 7.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.63 29.21 18.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 56.3 m -105.55 163.78 12.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -130.99 90.07 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.05 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 tp -83.11 143.58 30.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -139.65 98.28 3.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.3 p -167.72 136.89 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.32 142.36 27.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.03 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 27.6 p -154.84 -179.89 8.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.952 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -95.76 -34.14 12.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -139.58 133.15 30.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.847 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 16.1 tp -115.45 133.73 55.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.969 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.49 121.03 32.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.3 mt -120.42 153.74 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.051 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.418 ' CD2' ' HB3' ' A' ' 109' ' ' GLU . 19.1 m80 -159.96 130.38 5.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.1 m 58.25 32.23 21.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.109 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.6 m -107.43 143.3 35.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.824 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.01 143.54 19.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.7 t70 59.1 38.32 23.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 45.3 m -121.09 114.15 21.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 27.5 mtt85 -80.98 111.6 17.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 26.2 mt -111.03 115.49 50.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.251 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.403 ' CD2' ' HB1' ' A' ' 117' ' ' ALA . 13.4 m-85 -107.13 95.05 5.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.79 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -134.81 175.82 9.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -126.66 90.07 3.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.1 m -80.51 131.56 33.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.159 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 9.5 p -98.31 -30.71 12.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.03 -70.17 0.7 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.21 174.39 1.04 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -131.38 153.65 49.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.069 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 20.5 mt -131.3 146.8 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.178 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 5.5 m -144.73 116.15 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.103 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.418 ' HB3' ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -115.98 125.29 52.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 59.9 35.21 21.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 59.9 m -105.63 152.99 22.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.955 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 40.0 m -159.27 130.64 6.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.0 34.51 30.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.538 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 26.5 mm -93.21 156.87 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.796 0.332 . . . . 0.0 111.03 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.9 136.29 54.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -125.98 111.96 15.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.845 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.403 ' HB1' ' CD2' ' A' ' 99' ' ' PHE . . . -131.66 153.85 81.64 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.76 169.73 0.53 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.524 2.15 . . . . 0.0 112.257 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -98.9 144.29 28.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.2 p -165.67 118.87 1.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -175.19 139.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.87 -170.14 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.41 ' CB ' ' HD3' ' A' ' 124' ' ' PRO . 0.1 OUTLIER 178.05 -52.95 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.953 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.41 ' HD3' ' CB ' ' A' ' 123' ' ' TYR . 47.8 Cg_exo -56.13 -26.68 61.42 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.371 2.047 . . . . 0.0 112.421 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -138.38 48.19 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.142 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 18.1 tt -110.14 -32.05 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.072 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -58.58 -51.67 68.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.84 -31.08 71.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.41 -47.51 83.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.421 ' CD1' ' HG3' ' A' ' 66' ' ' PRO . 7.2 m-85 -67.99 -32.61 73.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.97 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -66.04 -35.11 79.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -46.79 88.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.7 p -81.2 -36.26 30.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 99.79 28.13 7.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.501 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 96.2 mt -89.41 161.06 16.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.03 144.95 39.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 63.1 mtm180 -98.24 29.06 3.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.5 m -121.93 -41.78 2.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.26 141.67 41.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.99 124.2 5.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.823 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.95 40.99 3.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 43.4 p-90 -69.03 -28.58 66.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.961 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -64.13 -45.69 87.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -67.38 132.55 47.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 21.4 t -146.8 140.18 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -95.91 111.27 23.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -92.41 162.0 14.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -145.15 30.3 1.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -154.86 81.47 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -81.18 114.52 20.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.91 138.87 41.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.796 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -69.11 120.1 14.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.039 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -163.45 -50.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -155.39 -60.56 0.11 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 4.6 tpp -177.24 -40.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -71.92 -179.23 2.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 1.3 m -110.86 97.72 35.03 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.818 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.47 94.02 0.37 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.445 2.097 . . . . 0.0 112.359 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -162.14 -62.95 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 35.0 p-90 -96.87 151.09 20.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 45.0 t -140.24 178.76 7.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 34.7 mm -112.2 158.55 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 6.2 tp -102.97 125.07 36.39 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.16 154.89 16.89 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.406 2.07 . . . . 0.0 112.341 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.69 -31.49 70.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -76.41 -22.55 54.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -95.91 29.74 2.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 111.064 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 26.5 mtp180 -107.92 29.31 7.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.021 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -113.29 102.12 10.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 2.1 mt -122.87 117.3 51.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.154 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -59.84 94.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -64.28 113.57 3.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.953 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 59.56 69.62 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.63 161.12 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.795 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -169.97 -92.37 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.5 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.4 -46.2 1.03 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.534 2.156 . . . . 0.0 112.29 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 6.1 m -164.2 121.09 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.57 31.33 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.542 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.505 ' CD2' HD13 ' A' ' 21' ' ' LEU . 24.4 m-85 -143.77 122.45 12.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.866 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.7 p -146.16 174.64 11.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.1 m120 61.09 39.98 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 mt -126.9 153.73 45.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -147.14 129.26 15.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.96 37.05 21.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -114.74 165.14 13.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.4 t -124.2 136.69 59.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.712 HD12 HG22 ' A' ' 43' ' ' VAL . 13.7 mt -131.39 150.14 52.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -150.53 117.73 5.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.442 ' HD2' HD21 ' A' ' 28' ' ' LEU . 14.0 mttt -118.74 143.48 46.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.15 179.93 4.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.03 -43.72 91.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.036 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 m -62.2 -33.64 74.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -72.63 -59.35 2.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.442 HD21 ' HD2' ' A' ' 23' ' ' LYS . 5.4 mt -63.07 -66.66 0.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.846 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 59.7 52.54 5.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 60.61 81.29 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -144.47 158.48 43.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -82.23 122.61 28.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.824 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.669 ' HB ' HD12 ' A' ' 52' ' ' LEU . 21.5 t -95.87 125.84 48.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.13 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 tp -113.27 112.95 24.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.622 ' HB2' HD12 ' A' ' 54' ' ' LEU . 14.6 mt -127.48 105.28 8.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.3 t -145.4 164.31 31.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 59.87 31.38 20.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.0 mt -105.88 170.86 7.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 m -169.95 123.27 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 61.3 30.31 19.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.803 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.4 t -107.79 125.55 51.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.99 130.86 44.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.712 HG22 HD12 ' A' ' 21' ' ' LEU . 21.6 t -131.06 115.34 29.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -107.49 101.74 11.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.959 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.792 HD12 ' HB2' ' A' ' 64' ' ' CYS . 14.4 mt -92.9 160.11 15.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -156.32 107.91 2.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 159.63 -120.1 0.94 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.555 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -169.21 82.3 0.67 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.721 0.296 . . . . 0.0 110.94 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.54 168.36 22.81 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.57 2.18 . . . . 0.0 112.277 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -77.56 -59.48 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.8 m -143.59 121.4 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.669 HD12 ' HB ' ' A' ' 33' ' ' VAL . 7.4 tp -92.83 145.54 24.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -145.97 124.24 12.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.946 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.622 HD12 ' HB2' ' A' ' 35' ' ' LEU . 6.7 tp -134.07 106.12 7.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.6 p -131.27 157.78 42.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 60.0 35.84 21.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.93 156.97 16.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.065 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -160.41 119.39 2.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 61.6 m 60.8 32.9 20.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 29.6 m -112.62 157.44 21.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.978 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -123.35 135.98 54.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.656 HD21 HD21 ' A' ' 52' ' ' LEU . 15.3 tp -128.97 125.4 37.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.953 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.495 HD23 ' HB3' ' A' ' 82' ' ' ALA . 2.0 mt -133.6 110.12 9.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.792 ' HB2' HD12 ' A' ' 45' ' ' LEU . 44.5 t -144.73 152.3 40.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.011 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.2 -179.86 2.24 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.449 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.537 ' HB2' HD12 ' A' ' 135' ' ' LEU . 18.5 Cg_endo -59.98 114.77 2.23 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.562 2.175 . . . . 0.0 112.153 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.479 HG22 ' N ' ' A' ' 68' ' ' SER . 11.5 p -57.59 158.48 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.479 ' N ' HG22 ' A' ' 67' ' ' VAL . 26.3 t -72.38 -51.7 19.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 p -102.71 -79.04 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.963 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -163.97 179.92 6.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.826 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.564 HG22 ' HB3' ' A' ' 52' ' ' LEU . 21.4 t -126.47 158.99 36.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.008 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.484 ' N ' HG12 ' A' ' 71' ' ' VAL . 39.8 m-85 -128.01 151.47 49.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.966 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.58 HD11 HD23 ' A' ' 54' ' ' LEU . 2.0 tp -145.2 130.25 18.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 62.5 tt0 -157.53 141.13 15.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 61.67 36.65 16.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 92.8 m -111.33 143.5 42.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.7 t -153.25 134.98 14.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 60.95 37.98 17.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.018 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.612 ' HB2' HG23 ' A' ' 96' ' ' THR . 59.7 m -117.28 165.94 12.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.23 100.19 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.17 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.509 ' HB3' HG23 ' A' ' 98' ' ' ILE . 1.5 tp -95.94 116.05 28.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.495 ' HB3' HD23 ' A' ' 63' ' ' LEU . . . -117.83 97.38 5.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.456 ' O ' HG13 ' A' ' 83' ' ' VAL . 11.2 p -165.45 122.12 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.33 138.74 40.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 13.2 p -151.02 176.29 11.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -85.92 -31.09 22.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -147.98 135.21 20.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.473 HD23 ' HE1' ' A' ' 116' ' ' PHE . 26.8 tp -116.48 125.35 51.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -115.29 118.57 33.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 91' ' ' HIS . 3.5 mt -120.96 158.45 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.486 ' N ' HG22 ' A' ' 90' ' ' ILE . 17.5 t-80 -168.3 133.62 1.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.78 35.2 19.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 63.6 m -107.92 149.15 28.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.4 pttt -157.57 134.43 10.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.949 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 59.01 31.11 21.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.612 HG23 ' HB2' ' A' ' 79' ' ' CYS . 5.8 m -111.62 101.65 10.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -67.6 136.49 54.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.725 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.808 HG22 HD22 ' A' ' 100' ' ' LEU . 18.5 mt -136.04 102.53 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.738 ' CD2' ' HB3' ' A' ' 117' ' ' ALA . 45.4 m-85 -97.08 107.42 19.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.808 HD22 HG22 ' A' ' 98' ' ' ILE . 2.4 pt? -151.2 -179.98 7.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -128.41 91.78 3.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 10.0 m -76.66 124.7 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.173 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.1 p -83.21 -33.01 26.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.39 -74.26 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.533 ' NE ' HD11 ' A' ' 107' ' ' ILE . 0.0 OUTLIER -177.03 171.76 2.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.817 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -121.19 154.9 35.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.087 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.533 HD11 ' NE ' ' A' ' 105' ' ' ARG . 27.7 mm -124.46 137.83 55.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 146' ' ' ASP . 9.4 m -135.83 143.39 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.412 ' HB3' ' CD2' ' A' ' 91' ' ' HIS . 8.2 tt0 -150.43 127.02 10.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.937 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.13 37.23 20.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 60.3 m -115.86 150.58 36.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.0 m -148.0 132.16 17.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.2 29.07 51.85 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.462 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 23.7 mm -82.51 153.43 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.733 0.301 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.402 ' OE1' HD13 ' A' ' 163' ' ' LEU . 16.8 mt-30 -128.64 136.39 50.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.473 ' HE1' HD23 ' A' ' 88' ' ' LEU . 76.5 m-85 -125.61 105.89 9.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.738 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . . . -121.53 149.4 52.53 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.171 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.03 164.35 1.71 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.59 2.194 . . . . 0.0 112.327 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -86.57 106.56 17.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.822 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.4 t -120.65 106.78 12.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.43 ' CZ2' ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -158.64 124.94 4.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 35.6 m -104.97 154.44 20.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.454 ' CG ' ' HD2' ' A' ' 124' ' ' PRO . 0.3 OUTLIER -176.97 151.8 0.98 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.454 ' HD2' ' CG ' ' A' ' 123' ' ' TYR . 66.2 Cg_exo -51.27 -26.87 21.47 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.624 2.216 . . . . 0.0 112.362 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -131.84 53.13 2.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 4.3 tp -95.97 -39.35 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.083 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.53 -38.95 71.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -68.76 -29.97 68.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -59.09 -44.87 91.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -61.66 -31.11 71.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -63.5 -34.35 77.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.0 m -60.19 -69.92 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -31.11 69.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.953 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 86.75 28.17 27.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.561 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.537 HD12 ' HB2' ' A' ' 66' ' ' PRO . 46.8 mt -84.11 157.79 21.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.787 0.327 . . . . 0.0 110.889 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.36 132.2 35.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 5.8 ttt-85 -97.97 33.99 2.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.94 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 23.1 t -143.89 -70.28 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -63.44 123.55 19.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -163.11 127.21 2.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.01 74.98 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' TRP . . . . . 0.661 ' CZ3' HD12 ' A' ' 162' ' ' ILE . 43.3 p-90 -84.43 -29.18 26.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -68.3 -31.88 71.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.792 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.88 119.94 31.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 146' ' ' ASP . 21.5 t -141.27 155.98 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.181 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' ASP . . . . . 0.468 ' O ' HG22 ' A' ' 108' ' ' VAL . 0.5 OUTLIER -99.18 130.4 45.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.964 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -109.02 163.58 13.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.984 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 21.4 m . . . . . 0 CA--C 1.529 0.17 0 CA-C-O 120.509 0.195 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -72.68 61.7 3.68 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.362 2.042 . . . . 0.0 112.348 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -107.62 -58.66 1.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.977 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 34.8 p-90 -103.87 154.83 19.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 42.6 t -148.27 178.84 8.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 162' ' ' ILE . . . . . 0.661 HD12 ' CZ3' ' A' ' 142' ' ' TRP . 27.4 mm -115.55 152.89 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.468 HD12 ' HD2' ' A' ' 164' ' ' PRO . 10.3 tp -96.93 138.42 21.31 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 164' ' ' PRO . . . . . 0.468 ' HD2' HD12 ' A' ' 163' ' ' LEU . 48.7 Cg_endo -68.94 179.87 2.99 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.481 2.121 . . . . 0.0 112.264 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -96.38 41.82 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -122.6 -42.17 2.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -102.65 29.72 5.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.006 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 168' ' ' ARG . . . . . 0.456 ' HD2' HD23 ' A' ' 163' ' ' LEU . 40.2 mmm-85 -78.39 -31.54 48.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -95.88 109.81 22.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.816 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 3.8 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 -179.935 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -109.75 134.97 51.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.351 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 72.2 m -154.11 172.22 17.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 60.99 34.77 19.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 mp -118.94 145.11 46.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -138.34 132.65 31.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.3 t 60.07 35.95 21.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -119.12 172.33 7.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.3 t -130.37 139.78 50.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.097 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.578 HD12 HG22 ' A' ' 43' ' ' VAL . 7.6 mt -130.44 142.83 50.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -146.09 151.89 38.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -147.05 148.7 31.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.3 tpp180 -105.32 174.7 5.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.69 -52.97 54.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 m -61.91 -32.92 73.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -66.24 -41.08 90.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.2 mt -86.08 -71.97 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 62.85 61.32 1.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.835 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 60.73 79.34 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -142.97 157.4 44.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -85.44 136.03 33.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -117.06 125.23 73.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.2 tp -115.36 124.04 50.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.537 HD22 HG21 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -135.03 111.74 10.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.98 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 t -147.03 166.22 27.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 59.99 38.91 20.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.0 mt -114.55 145.7 41.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -140.37 122.39 15.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 61.41 36.44 17.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.781 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.3 t -109.58 158.42 18.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.5 p -122.15 143.96 49.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.745 ' HB ' HD12 ' A' ' 62' ' ' LEU . 20.7 t -140.42 134.28 34.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.123 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 45.6 mtp180 -142.95 106.64 4.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.0 mt -97.31 159.92 14.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.81 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -142.07 127.12 18.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 129.84 -117.79 2.43 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.547 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -160.13 88.42 1.87 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.769 0.318 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -69.17 161.41 45.97 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.527 2.151 . . . . 0.0 112.298 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -76.6 -68.8 0.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.953 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.6 m -140.21 111.67 7.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.869 HD21 HD21 ' A' ' 62' ' ' LEU . 54.8 tp -77.3 153.04 34.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -153.3 114.26 4.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.552 HD23 HD11 ' A' ' 73' ' ' LEU . 6.6 tp -129.36 109.48 11.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.9 p -133.39 154.99 50.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.7 mttm 60.61 32.7 20.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.948 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.01 139.55 30.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.054 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 42.1 t-80 -141.03 120.41 13.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.6 m 58.87 30.06 19.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.037 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 67.1 m -106.74 155.82 19.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -119.78 143.59 47.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.869 HD21 HD21 ' A' ' 52' ' ' LEU . 3.5 tp -148.21 117.5 6.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.9 mp -133.47 112.29 11.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 5.9 p -139.76 170.24 16.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.949 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.438 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -69.61 -179.9 24.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.428 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.405 ' HG3' ' CD1' ' A' ' 130' ' ' PHE . 27.5 Cg_endo -62.43 128.22 23.05 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.521 2.147 . . . . 0.0 112.25 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.507 HG12 ' HB3' ' A' ' 85' ' ' CYS . 12.9 p -69.57 154.51 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.187 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.402 ' N ' HG22 ' A' ' 67' ' ' VAL . 0.6 OUTLIER -67.22 -49.27 65.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.967 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.57 -79.62 0.56 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.977 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 52.1 m -161.31 -179.99 7.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.08 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.532 HG13 ' HB3' ' A' ' 52' ' ' LEU . 21.4 t -124.52 159.27 30.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.125 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.489 ' N ' HG12 ' A' ' 71' ' ' VAL . 67.9 t80 -127.83 159.49 34.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.962 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.552 HD11 HD23 ' A' ' 54' ' ' LEU . 2.9 tp -154.41 134.52 13.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -158.39 140.44 13.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.18 31.94 20.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.93 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.531 ' O ' HG23 ' A' ' 93' ' ' THR . 1.8 m -98.78 145.33 27.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 t -158.28 133.48 8.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 59.83 31.87 21.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.1 t -107.73 166.93 10.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -134.13 90.05 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.959 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.738 HD21 HG12 ' A' ' 83' ' ' VAL . 6.3 tt -93.75 114.77 27.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.954 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -116.14 97.28 5.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.738 HG12 HD21 ' A' ' 81' ' ' LEU . 11.9 p -156.33 126.51 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.07 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.35 139.87 41.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.507 ' HB3' HG12 ' A' ' 67' ' ' VAL . 30.7 p -158.93 171.91 19.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -82.13 -47.49 12.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.768 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -127.99 150.63 49.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.82 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.836 HD22 HD11 ' A' ' 100' ' ' LEU . 23.6 tp -126.09 143.27 51.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.95 112.6 12.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.601 HD11 ' CD2' ' A' ' 88' ' ' LEU . 4.3 mt -127.17 142.6 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -155.92 141.66 17.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.03 30.63 20.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.966 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 76' ' ' CYS . 17.7 m -107.98 147.77 30.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.827 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -157.9 142.2 16.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.39 30.33 18.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.6 m -112.15 122.36 47.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.983 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 53.1 mtt180 -94.1 111.26 22.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.818 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.986 HG22 HD22 ' A' ' 100' ' ' LEU . 28.4 mt -106.42 127.67 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.73 ' CD2' ' HB3' ' A' ' 117' ' ' ALA . 65.0 m-85 -118.46 97.41 5.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.986 HD22 HG22 ' A' ' 98' ' ' ILE . 2.2 pt? -143.31 171.39 14.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -121.86 100.25 6.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 141' ' ' ASN . 15.8 m -86.5 122.83 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.174 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 16.1 p -97.02 21.94 9.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.1 m -150.49 -71.22 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.82 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.3 ptt85 -178.11 168.97 1.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -131.84 147.01 52.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.092 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 31.2 mt -112.95 143.03 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.075 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 31.5 m -147.94 147.35 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -151.9 130.34 12.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 59.94 34.8 21.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 72.0 m -105.3 145.05 31.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.6 m -153.83 134.88 13.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.59 28.24 57.71 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.45 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.407 HG22 ' N ' ' A' ' 115' ' ' GLN . 25.6 mm -92.8 154.5 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.822 0.344 . . . . 0.0 111.109 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.407 ' N ' HG22 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -128.1 119.76 26.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -109.15 118.01 35.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.73 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . . . -130.05 163.63 46.18 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.074 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.639 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 55.3 Cg_endo -69.85 148.08 63.73 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.546 2.164 . . . . 0.0 112.315 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -68.61 131.82 45.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 32.6 p -141.14 106.29 4.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.657 ' O ' HD13 ' A' ' 126' ' ' ILE . 0.0 OUTLIER -152.43 86.76 1.29 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.76 117.12 14.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.974 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.411 ' O ' HG22 ' A' ' 126' ' ' ILE . 1.4 t80 -155.54 141.72 13.03 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.48 -33.57 68.1 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.548 2.166 . . . . 0.0 112.322 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 40.0 mp0 -98.92 46.78 0.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.938 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.657 HD13 ' O ' ' A' ' 121' ' ' TRP . 1.2 tp -99.87 -41.21 9.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.432 ' N ' HG23 ' A' ' 126' ' ' ILE . 0.3 OUTLIER -68.18 -25.25 65.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.061 179.876 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.1 mtmt -77.16 -31.18 55.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -76.38 -35.71 58.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.405 ' CD1' ' HG3' ' A' ' 66' ' ' PRO . 26.0 m-85 -80.92 -41.78 22.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.978 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -31.39 70.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.956 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.3 m -71.94 -38.09 69.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 89.9 p -71.87 -49.16 40.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 110.39 28.36 4.09 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.506 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 8.6 mt -93.16 154.91 17.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.348 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.74 126.84 50.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -98.87 31.17 3.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.22 30.76 5.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -129.52 -70.49 0.65 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 18.9 t30 60.21 89.8 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ASN . . . . . 0.725 ' O ' HG23 ' A' ' 102' ' ' VAL . 1.4 m-20 -134.05 83.15 2.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 49.4 p-90 -107.07 -28.63 9.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -57.72 -31.23 66.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.972 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -75.4 108.39 8.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 28.1 t -125.72 147.37 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.83 134.68 47.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -126.43 157.48 38.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.712 0.291 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.27 83.38 0.99 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.536 2.157 . . . . 0.0 112.289 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -156.46 -55.2 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 41.7 p-90 -107.92 133.46 52.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.26 158.23 19.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 21.5 mt -98.39 141.65 15.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.773 HD21 ' O ' ' A' ' 167' ' ' GLU . 12.8 tp -66.58 136.86 94.94 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -73.47 -167.68 0.39 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.449 2.099 . . . . 0.0 112.264 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -97.91 29.32 3.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -123.05 -40.91 2.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.773 ' O ' HD21 ' A' ' 163' ' ' LEU . 2.9 mm-40 -97.27 28.97 3.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.073 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -86.24 -34.71 20.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.919 0.39 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -78.54 93.08 4.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 2.5 mt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.082 -179.899 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -144.18 143.95 31.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.808 0.337 . . . . 0.0 110.834 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 65.5 p -164.28 169.72 17.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.954 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 60.52 39.16 18.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.0 mt -128.51 143.33 50.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.971 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -145.33 139.74 27.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.947 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.5 t 60.09 38.04 20.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -122.81 169.03 11.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.527 HG12 ' OE2' ' A' ' 22' ' ' GLU . 28.8 t -123.49 108.63 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.596 HD12 HG22 ' A' ' 43' ' ' VAL . 14.9 mt -96.67 147.1 24.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.527 ' OE2' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -154.96 130.44 9.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -130.23 150.08 51.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 mtm-85 -110.87 174.2 5.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.45 -43.41 96.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 m -61.71 -32.21 72.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -74.39 -39.49 62.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.473 HD12 ' O ' ' A' ' 46' ' ' TYR . 40.9 mt -72.07 -63.77 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 60.21 37.09 20.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 60.62 92.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.7 mtt180 -154.97 -178.16 7.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -99.52 121.07 40.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.53 ' HB ' HD12 ' A' ' 52' ' ' LEU . 21.5 t -95.96 127.37 48.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.422 HD12 ' HD3' ' A' ' 53' ' ' ARG . 1.6 tp -125.14 105.26 9.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.85 ' HB2' HD12 ' A' ' 54' ' ' LEU . 1.7 mt -113.72 129.21 56.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.9 t -151.62 165.18 35.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 61.09 37.28 17.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.532 HD11 ' HB3' ' A' ' 35' ' ' LEU . 85.3 mt -103.83 145.84 29.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.4 117.78 5.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 60.81 36.06 19.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 12.7 t -116.99 143.08 46.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.08 150.24 25.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.596 HG22 HD12 ' A' ' 21' ' ' LEU . 21.4 t -144.84 142.26 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.8 mtt-85 -142.48 105.67 4.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.642 HD12 ' HB3' ' A' ' 64' ' ' CYS . 7.6 mt -98.05 153.76 18.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.473 ' O ' HD12 ' A' ' 28' ' ' LEU . 87.1 m-85 -141.8 140.73 33.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 128.37 -112.94 1.51 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.513 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -171.27 82.75 0.5 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.667 0.27 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.6 154.21 68.65 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.56 2.173 . . . . 0.0 112.282 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.42 -51.76 12.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -149.82 127.81 11.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.53 HD12 ' HB ' ' A' ' 33' ' ' VAL . 26.1 tp -93.37 149.29 21.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.422 ' HD3' HD12 ' A' ' 34' ' ' LEU . 13.8 ttt85 -150.77 105.95 3.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.942 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 1.055 HD13 HD22 ' A' ' 62' ' ' LEU . 2.3 tp -122.13 131.79 54.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.796 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.2 p -146.68 164.88 31.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.068 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.8 mtmm 53.86 35.15 20.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.072 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.541 ' HB1' ' SG ' ' A' ' 79' ' ' CYS . . . -90.78 128.34 36.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.075 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -132.87 111.7 11.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.5 m 60.48 32.09 20.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 61.4 m -106.22 172.01 7.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -134.26 135.82 43.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 1.055 HD22 HD13 ' A' ' 54' ' ' LEU . 15.0 tp -133.45 109.16 9.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.713 HD23 ' HB3' ' A' ' 82' ' ' ALA . 6.9 mt -121.9 104.33 9.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.805 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.642 ' HB3' HD12 ' A' ' 45' ' ' LEU . 7.6 p -131.23 164.13 26.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.011 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.9 -179.94 12.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.463 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.609 ' HB2' HD12 ' A' ' 135' ' ' LEU . 36.3 Cg_endo -65.28 115.69 3.47 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.628 2.219 . . . . 0.0 112.284 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.486 HG22 ' N ' ' A' ' 68' ' ' SER . 11.4 p -61.27 158.67 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.182 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.486 ' N ' HG22 ' A' ' 67' ' ' VAL . 11.7 t -71.37 -52.43 18.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.52 -80.54 0.47 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.6 m -165.03 179.92 6.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.861 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.873 HG21 HG11 ' A' ' 83' ' ' VAL . 21.7 t -116.62 159.01 16.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.018 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.486 ' N ' HG12 ' A' ' 71' ' ' VAL . 45.6 m-85 -139.35 104.49 4.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.985 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.722 HD11 HD23 ' A' ' 54' ' ' LEU . 5.4 tp -100.7 132.49 46.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.74 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -149.72 142.42 24.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.15 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 63.24 32.76 14.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.611 ' O ' HG23 ' A' ' 93' ' ' THR . 17.7 m -107.01 134.96 49.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 p -142.5 132.84 24.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.013 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 59.74 39.11 21.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.541 ' SG ' ' HB1' ' A' ' 57' ' ' ALA . 3.9 t -117.51 162.94 17.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.22 93.12 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.697 ' CD1' HD23 ' A' ' 62' ' ' LEU . 11.5 tp -90.96 130.03 36.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.713 ' HB3' HD23 ' A' ' 63' ' ' LEU . . . -131.02 107.72 9.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.973 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.873 HG11 HG21 ' A' ' 71' ' ' VAL . 10.7 p -164.34 122.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.51 126.16 29.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.433 ' SG ' HD12 ' A' ' 100' ' ' LEU . 15.0 p -146.1 171.54 14.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -82.02 -31.1 31.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -146.25 163.39 35.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.422 ' CD2' HD11 ' A' ' 90' ' ' ILE . 32.2 tp -143.52 124.8 14.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 38.5 ttt-85 -122.63 101.99 7.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.987 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 91' ' ' HIS . 2.6 mp -96.33 159.26 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.486 ' N ' HG22 ' A' ' 90' ' ' ILE . 2.3 t60 -161.36 133.36 5.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.967 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.8 m 60.01 35.16 21.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.042 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.611 HG23 ' O ' ' A' ' 76' ' ' CYS . 67.8 m -112.45 140.8 46.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.27 135.52 22.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.001 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 54.73 39.98 31.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.4 HG21 HD21 ' A' ' 73' ' ' LEU . 24.9 m -114.4 115.32 27.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.081 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.4 mtt85 -75.69 137.04 40.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.731 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.633 HG22 HD22 ' A' ' 100' ' ' LEU . 16.4 mt -140.84 108.85 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.19 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.45 ' CZ ' HD11 ' A' ' 170' ' ' ILE . 48.7 m-85 -102.25 101.19 11.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.633 HD22 HG22 ' A' ' 98' ' ' ILE . 2.1 pt? -138.74 165.91 25.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.968 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -113.55 89.94 3.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.706 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.4 m -80.71 120.67 32.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 82.7 p -87.75 -30.34 20.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.34 -72.37 0.63 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.818 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -178.58 162.03 1.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -115.2 152.62 32.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.039 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.4 HG22 ' N ' ' A' ' 108' ' ' VAL . 4.6 mt -126.66 153.38 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 146' ' ' ASP . 6.8 m -142.54 120.17 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.023 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.52 120.8 36.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.99 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.97 30.93 20.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.974 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 14.4 m -100.61 162.71 12.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.11 123.53 1.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.979 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.12 28.14 50.42 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.565 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 26.1 mm -81.68 127.93 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.748 0.309 . . . . 0.0 111.099 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -87.2 115.85 24.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.048 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -103.78 124.74 49.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -153.0 154.26 30.8 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.073 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.2 -174.69 0.44 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.553 2.168 . . . . 0.0 112.257 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.442 ' CZ ' ' HB3' ' A' ' 121' ' ' TRP . 11.2 t80 -101.41 124.95 47.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 3.4 t -109.8 -26.17 9.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.081 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.489 ' CD1' HD22 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -55.17 153.56 6.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.051 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.534 ' HA ' HD13 ' A' ' 126' ' ' ILE . 1.2 m -175.86 172.06 2.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -168.8 162.99 8.06 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.821 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -50.43 -31.4 30.43 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.557 2.171 . . . . 0.0 112.362 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -104.43 53.25 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.534 HD13 ' HA ' ' A' ' 122' ' ' SER . 1.0 OUTLIER -104.87 -33.96 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.037 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.11 -31.85 72.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -77.32 -30.81 54.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -72.18 -38.94 68.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.524 ' HE1' HD11 ' A' ' 126' ' ' ILE . 17.1 m-85 -76.73 -41.0 46.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -68.94 -33.58 73.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.2 m -69.94 -37.58 75.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.96 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 53.4 p -84.03 -31.49 25.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.01 30.56 7.4 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.458 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.609 HD12 ' HB2' ' A' ' 66' ' ' PRO . 75.6 mt -107.39 -176.81 3.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.807 0.337 . . . . 0.0 110.872 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.67 160.83 37.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -100.43 -31.96 11.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.52 -55.43 6.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 4.4 mttp -64.51 121.03 13.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -173.09 143.21 1.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -142.5 78.87 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 64.5 p-90 -75.42 -28.62 59.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -57.75 -31.21 66.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -71.87 120.4 17.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.994 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 21.5 t -144.61 146.82 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' ASP . . . . . 0.502 ' O ' HG22 ' A' ' 108' ' ' VAL . 1.4 t70 -130.78 140.72 50.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.42 119.5 37.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.574 0.226 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.03 63.0 2.52 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.509 2.139 . . . . 0.0 112.326 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -149.05 -70.15 0.21 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 66.4 p-90 -93.74 158.9 15.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 4.1 m -143.32 156.92 44.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 32.2 mt -94.16 146.03 7.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.044 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.646 HD21 ' O ' ' A' ' 167' ' ' GLU . 13.8 tp -75.83 127.17 86.06 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.848 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.34 -167.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.41 2.073 . . . . 0.0 112.325 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -105.03 33.39 3.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -123.16 -43.59 2.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.646 ' O ' HD21 ' A' ' 163' ' ' LEU . 70.2 mt-10 -98.47 29.86 3.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.977 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.79 -31.32 45.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.935 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -80.6 126.88 31.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 170' ' ' ILE . . . . . 0.45 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 20.7 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.039 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.419 ' CE2' ' HE2' ' A' ' 23' ' ' LYS . 4.5 m-85 -146.2 129.12 16.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 0.0 110.927 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.412 ' HA ' HD21 ' A' ' 38' ' ' LEU . 23.4 p -158.68 177.71 10.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 60.35 35.85 20.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.25 146.77 48.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -150.87 147.36 27.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.7 p 58.71 32.69 22.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -125.05 174.41 8.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.8 t -128.03 114.4 34.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.7 mt -108.84 141.72 40.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.5 145.94 49.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.956 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.533 ' HB2' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -143.18 158.5 43.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.788 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.44 175.35 9.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.28 -31.07 72.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.032 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.55 -34.01 64.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.813 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -80.32 -36.0 34.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.42 HD13 ' HG3' ' A' ' 49' ' ' PRO . 6.4 mt -77.58 -50.3 12.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 59.58 31.6 21.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 60.0 71.2 0.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -127.12 -176.89 3.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -91.45 100.07 12.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.812 ' HB ' HD12 ' A' ' 52' ' ' LEU . 26.9 t -65.94 110.74 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.047 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.7 tp -109.74 115.84 30.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.969 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.503 ' HB3' HD11 ' A' ' 38' ' ' LEU . 6.3 mt -135.19 133.56 39.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.6 t -162.11 166.74 25.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 62.13 40.04 12.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.503 HD11 ' HB3' ' A' ' 35' ' ' LEU . 18.2 mt -110.15 163.3 13.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.983 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.7 m -158.69 111.28 2.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 60.84 31.35 20.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.8 t -101.23 103.49 14.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.53 144.8 55.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.784 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.632 ' HB ' HD12 ' A' ' 62' ' ' LEU . 21.5 t -131.58 157.36 43.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.453 ' N ' HG12 ' A' ' 43' ' ' VAL . 12.8 mtt180 -155.57 100.09 2.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.54 HD12 ' HB2' ' A' ' 64' ' ' CYS . 11.3 mt -102.72 158.27 16.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -147.62 100.18 3.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 165.41 -138.82 5.45 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -148.22 67.65 9.97 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.773 0.321 . . . . 0.0 110.968 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.42 ' HG3' HD13 ' A' ' 28' ' ' LEU . 50.5 Cg_exo -53.28 146.47 40.03 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.579 2.186 . . . . 0.0 112.25 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -62.61 -56.87 13.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.406 HG23 ' OG1' ' A' ' 69' ' ' THR . 0.1 OUTLIER -136.39 151.16 49.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.812 HD12 ' HB ' ' A' ' 33' ' ' VAL . 7.4 tp -123.98 140.4 53.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -152.39 116.04 4.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.483 HD12 ' HB2' ' A' ' 35' ' ' LEU . 2.0 tp -127.34 128.67 46.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.807 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.0 p -149.17 160.11 43.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.4 mttm 59.62 37.45 22.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -107.49 144.1 34.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.001 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -138.41 121.68 17.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.3 m 59.53 27.24 16.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 59.0 m -95.55 146.69 24.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -118.03 111.12 18.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.632 HD12 ' HB ' ' A' ' 43' ' ' VAL . 5.2 tp -112.05 128.21 56.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.599 HD23 ' HB3' ' A' ' 82' ' ' ALA . 6.6 mt -137.74 111.29 8.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.54 ' HB2' HD12 ' A' ' 45' ' ' LEU . 51.6 t -141.25 156.29 45.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.59 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -58.81 -179.91 1.3 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.516 ' HB3' ' HB3' ' A' ' 84' ' ' ALA . 28.8 Cg_endo -62.97 119.37 6.41 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.613 2.208 . . . . 0.0 112.209 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.647 HG12 ' O ' ' A' ' 84' ' ' ALA . 11.9 p -58.59 158.44 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.07 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.481 ' N ' HG22 ' A' ' 67' ' ' VAL . 3.4 t -69.12 -52.32 29.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.971 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.406 ' OG1' HG23 ' A' ' 51' ' ' THR . 0.6 OUTLIER -105.12 -77.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.994 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.46 179.98 7.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.0 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.726 HG21 HG11 ' A' ' 83' ' ' VAL . 24.4 t -123.2 158.8 27.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.49 ' N ' HG12 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -132.89 118.56 19.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.6 tp -113.78 136.97 52.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -160.87 142.16 11.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 62.9 32.49 15.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 10.0 m -103.0 138.53 39.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.4 t -147.8 130.53 16.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 60.33 34.13 20.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.606 ' HB2' HG23 ' A' ' 96' ' ' THR . 14.5 m -107.7 165.86 11.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -134.13 90.21 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 tp -86.85 151.19 23.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.599 ' HB3' HD23 ' A' ' 63' ' ' LEU . . . -149.19 97.25 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.726 HG11 HG21 ' A' ' 71' ' ' VAL . 12.4 p -162.71 128.6 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.088 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.647 ' O ' HG12 ' A' ' 67' ' ' VAL . . . -76.25 154.46 35.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.068 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.452 ' SG ' HD12 ' A' ' 100' ' ' LEU . 30.7 p -169.93 -179.95 3.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -104.39 -31.54 9.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -137.64 121.17 17.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.952 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.461 HD22 HD11 ' A' ' 100' ' ' LEU . 32.6 tp -115.17 138.18 51.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.13 117.04 19.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.673 HD12 HG12 ' A' ' 108' ' ' VAL . 4.3 mt -114.33 147.26 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.053 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -153.13 131.62 12.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.026 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 63.4 m 59.33 37.09 23.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.996 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.614 ' O ' HD11 ' A' ' 114' ' ' ILE . 51.6 m -110.42 134.02 52.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.797 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -148.08 140.47 24.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.32 30.74 20.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.606 HG23 ' HB2' ' A' ' 79' ' ' CYS . 7.0 m -113.16 130.08 56.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.979 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -93.36 140.32 29.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.697 HG22 HD22 ' A' ' 100' ' ' LEU . 29.5 mt -139.3 126.57 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.157 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.513 ' CZ ' HD22 ' A' ' 163' ' ' LEU . 9.7 m-85 -116.51 109.06 16.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.697 HD22 HG22 ' A' ' 98' ' ' ILE . 2.1 pt? -152.41 176.06 12.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -127.63 90.09 3.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 8.8 m -81.9 121.38 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 70.1 p -90.59 -33.77 15.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.56 -74.86 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -176.61 176.05 1.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -142.22 157.73 44.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 22.3 mt -123.83 148.77 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.673 HG12 HD12 ' A' ' 90' ' ' ILE . 5.2 m -149.79 109.65 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.088 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -122.41 138.26 54.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.804 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 60.18 30.88 20.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.452 ' O ' ' ND2' ' A' ' 159' ' ' ASN . 96.9 m -110.76 152.93 26.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 m -157.75 128.8 6.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.1 28.05 50.81 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.557 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.614 HD11 ' O ' ' A' ' 93' ' ' THR . 26.7 mm -82.24 148.1 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.819 0.343 . . . . 0.0 111.085 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -112.82 129.34 56.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -122.74 122.22 38.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.594 ' HB1' ' HD2' ' A' ' 118' ' ' PRO . . . -140.02 162.17 51.82 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.061 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.594 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 51.8 Cg_endo -69.24 168.53 20.61 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.558 2.172 . . . . 0.0 112.343 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -112.96 127.1 56.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.27 31.33 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -84.24 178.43 7.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.748 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.787 ' HB2' HD13 ' A' ' 126' ' ' ILE . 3.8 m 61.23 -177.54 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.841 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.442 ' N ' ' HD2' ' A' ' 124' ' ' PRO . 0.3 OUTLIER -177.52 -62.38 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.01 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.442 ' HD2' ' N ' ' A' ' 123' ' ' TYR . 19.3 Cg_endo -58.84 -23.18 66.01 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.491 2.128 . . . . 0.0 112.292 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -146.95 53.32 1.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.787 HD13 ' HB2' ' A' ' 122' ' ' SER . 9.1 tp -110.02 -34.97 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.061 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.422 ' OD1' HG23 ' A' ' 126' ' ' ILE . 1.2 m-20 -74.23 -38.99 63.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.908 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -73.68 -38.31 64.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.93 -34.99 79.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.23 -32.2 73.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -88.71 -31.6 18.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.17 -47.48 20.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 78.9 p -59.37 -38.18 79.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 112.26 30.59 2.87 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.436 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 24.5 mt -108.49 171.48 7.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.88 137.53 52.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 51.5 mtp85 -87.9 -31.43 19.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.49 -56.88 3.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -60.19 132.14 52.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -148.05 122.21 9.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -150.19 86.02 1.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 33.8 p-90 -110.35 -29.29 8.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.956 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.32 -31.05 67.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.07 104.95 13.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.64 127.55 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -77.25 100.67 5.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -95.22 136.29 35.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 20.0 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.754 0.311 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.44 62.79 2.83 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.545 2.164 . . . . 0.0 112.322 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 111' ' ' CYS . 0.7 OUTLIER -107.79 -32.57 7.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 24.6 p-90 -117.78 112.27 20.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.58 170.88 15.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 33.3 mt -124.54 131.6 72.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.513 HD22 ' CZ ' ' A' ' 99' ' ' PHE . 5.5 tp -61.65 131.85 92.93 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.755 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -67.82 167.9 20.08 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.529 2.153 . . . . 0.0 112.279 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -93.14 47.58 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -141.11 -46.19 0.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -97.02 33.05 1.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -67.59 -47.81 68.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.815 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -69.33 120.41 15.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.78 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 19.3 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.143 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 N-CA-C 112.526 -0.229 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.534 ' HB3' HD11 ' A' ' 16' ' ' LEU . 26.1 m-85 -130.83 150.44 52.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 0.0 110.894 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 90.3 p -164.14 176.81 8.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 60.36 32.65 20.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.534 HD11 ' HB3' ' A' ' 13' ' ' PHE . 11.4 mt -114.98 142.15 47.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.81 130.74 20.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m 61.84 31.73 18.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -115.39 161.4 18.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.0 t -125.67 121.89 61.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.048 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 mt -113.05 170.34 8.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -153.49 139.1 17.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.8 mttt -138.27 157.52 46.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.2 mtm-85 -127.5 179.84 5.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.82 -42.33 77.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.106 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.6 t -67.74 -30.76 70.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.09 -45.47 70.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.945 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.5 mt -77.87 -79.96 0.11 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 61.67 69.99 0.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.936 0.398 . . . . 0.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 57.69 74.06 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -134.98 165.6 24.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -103.92 101.8 11.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.823 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.549 HG12 HD11 ' A' ' 35' ' ' LEU . 25.9 t -86.76 114.64 26.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.3 tp -119.19 111.31 18.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.606 ' HB3' HD11 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -116.79 136.01 53.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.8 t -161.8 167.44 24.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.986 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 60.05 39.55 19.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.606 HD11 ' HB3' ' A' ' 35' ' ' LEU . 1.5 mt -111.49 154.54 24.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.1 115.1 6.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 60.96 30.67 19.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.935 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.6 t -100.73 131.18 46.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.6 m -91.53 134.15 34.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.512 ' HB ' HD12 ' A' ' 62' ' ' LEU . 21.5 t -134.08 130.05 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.149 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -136.3 134.82 38.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.966 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.675 HD12 ' HB3' ' A' ' 64' ' ' CYS . 8.9 mt -130.33 156.67 44.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -144.29 104.61 4.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 157.41 -137.2 5.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.486 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -150.18 83.36 6.1 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.726 0.298 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.29 173.37 11.54 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.626 2.217 . . . . 0.0 112.281 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.92 -63.3 1.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.841 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.3 m -138.37 148.23 44.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.565 ' HB3' HG13 ' A' ' 71' ' ' VAL . 16.3 tp -119.04 143.65 46.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -154.17 139.01 17.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.563 HD12 ' HB2' ' A' ' 35' ' ' LEU . 5.3 tp -147.69 131.46 16.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.789 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.0 p -148.53 158.84 44.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.04 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.1 mttt 59.64 31.26 20.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -101.78 124.91 48.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.056 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -126.55 125.71 42.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.012 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.7 m 58.49 30.92 20.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.971 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 35.1 m -108.54 150.68 27.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -111.66 140.95 45.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.546 HD21 HD21 ' A' ' 52' ' ' LEU . 10.9 tp -135.0 128.42 32.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.953 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.537 HD23 ' HB3' ' A' ' 82' ' ' ALA . 6.1 mt -139.68 123.85 17.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.675 ' HB3' HD12 ' A' ' 45' ' ' LEU . 29.1 p -157.54 162.54 38.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -70.08 -179.93 26.63 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.476 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.425 ' HG3' ' CD1' ' A' ' 130' ' ' PHE . 26.0 Cg_endo -61.91 127.71 22.18 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.59 2.193 . . . . 0.0 112.216 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.48 HG22 ' N ' ' A' ' 68' ' ' SER . 12.1 p -69.7 158.6 5.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.167 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.48 ' N ' HG22 ' A' ' 67' ' ' VAL . 1.4 m -68.5 -53.77 21.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.969 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.8 p -102.16 -76.2 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -163.25 179.99 7.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.015 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.729 HG21 HG11 ' A' ' 83' ' ' VAL . 21.5 t -119.86 159.06 21.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.487 ' N ' HG12 ' A' ' 71' ' ' VAL . 28.0 m-85 -131.73 128.9 39.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.606 HD13 HD13 ' A' ' 81' ' ' LEU . 2.7 tp -126.4 134.4 51.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.754 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -157.41 139.03 13.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.948 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.83 39.99 10.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.029 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.3 m -105.97 135.0 48.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.84 128.96 16.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 60.69 36.35 19.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.516 ' H ' HG23 ' A' ' 96' ' ' THR . 0.5 OUTLIER -109.34 174.32 5.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.811 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.36 89.96 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.606 HD13 HD13 ' A' ' 73' ' ' LEU . 0.9 OUTLIER -84.49 138.68 32.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.537 ' HB3' HD23 ' A' ' 63' ' ' LEU . . . -139.34 99.78 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.729 HG11 HG21 ' A' ' 71' ' ' VAL . 10.8 p -163.62 153.31 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.081 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -105.65 130.3 53.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 9.4 p -144.27 179.98 6.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.958 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -100.78 -31.27 11.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.964 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -143.59 99.92 3.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.677 HD22 ' CD1' ' A' ' 100' ' ' LEU . 47.8 tp -78.68 158.3 28.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -146.2 105.32 3.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.956 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.71 ' HB ' HG12 ' A' ' 108' ' ' VAL . 18.2 mt -109.82 158.61 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.463 ' N ' HG22 ' A' ' 90' ' ' ILE . 50.2 t-80 -167.54 142.91 3.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.119 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.4 m 51.07 28.69 4.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.214 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.432 ' O ' HD11 ' A' ' 114' ' ' ILE . 28.8 m -100.12 139.35 35.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.7 pttp -151.06 130.76 13.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.975 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.31 39.96 21.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.032 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.516 HG23 ' H ' ' A' ' 79' ' ' CYS . 34.6 m -121.0 112.39 18.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -64.73 139.48 58.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.798 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.597 HG22 HD22 ' A' ' 100' ' ' LEU . 27.8 mt -140.83 123.68 15.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.196 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -120.38 100.32 7.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.791 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.677 ' CD1' HD22 ' A' ' 88' ' ' LEU . 1.9 pt? -137.7 171.62 14.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.054 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -128.7 89.9 2.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.819 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.8 m -81.53 134.2 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 10.6 p -100.8 -30.78 11.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.62 -65.51 0.97 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -177.62 177.64 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -129.47 164.23 24.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.055 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 32.8 mt -142.14 138.97 30.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.71 HG12 ' HB ' ' A' ' 90' ' ' ILE . 30.3 m -148.69 129.18 4.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.046 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.429 ' HB3' ' CD2' ' A' ' 91' ' ' HIS . 0.2 OUTLIER -126.21 129.44 48.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.04 30.93 18.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 13.7 m -107.5 141.19 39.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.51 136.88 23.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.07 27.74 63.7 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.571 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.435 ' CG2' HD12 ' A' ' 98' ' ' ILE . 29.7 mm -82.48 114.7 23.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.841 0.353 . . . . 0.0 111.054 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -80.93 104.37 11.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.967 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.439 ' HZ ' HG11 ' A' ' 108' ' ' VAL . 81.9 m-85 -90.53 136.66 32.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.505 ' HB1' ' HD2' ' A' ' 118' ' ' PRO . . . -155.15 159.8 31.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.99 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.505 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 55.7 Cg_endo -70.01 159.3 53.72 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.532 2.154 . . . . 0.0 112.301 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -79.97 95.38 6.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.75 105.02 15.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -161.95 120.54 2.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.55 131.25 56.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -145.43 160.13 46.11 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.35 -32.67 52.66 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.596 2.198 . . . . 0.0 112.319 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -131.64 64.3 1.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -110.11 -33.58 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.003 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.43 -34.11 63.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.847 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -30.9 69.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.34 -45.78 79.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.425 ' CD1' ' HG3' ' A' ' 66' ' ' PRO . 11.2 m-85 -58.92 -37.28 76.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.046 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.06 -33.72 50.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.18 -55.51 32.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 40.3 p -61.57 -37.52 84.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 107.91 30.28 4.03 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.467 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 34.5 mt -96.19 159.61 14.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.784 0.326 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.71 152.3 25.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.822 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -112.05 30.31 7.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.78 -34.69 6.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -85.92 128.69 34.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -154.85 111.83 3.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -139.1 43.16 2.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' TRP . . . . . 0.429 ' CZ2' ' ND2' ' A' ' 143' ' ' ASN . 64.1 p-90 -66.24 -30.75 71.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' ASN . . . . . 0.429 ' ND2' ' CZ2' ' A' ' 142' ' ' TRP . 18.1 m-80 -59.31 -36.09 74.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.21 110.97 21.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 21.6 t -122.53 146.1 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -83.47 153.24 24.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -135.1 130.12 35.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.806 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.609 0.242 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -62.51 76.15 0.1 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.68 2.253 . . . . 0.0 112.24 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -140.52 -61.07 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 66.3 p-90 -91.01 141.95 28.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.802 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -127.96 164.67 21.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.956 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 18.2 mt -101.1 141.68 17.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.547 HD21 ' O ' ' A' ' 167' ' ' GLU . 13.8 tp -75.99 137.36 69.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 164' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 163' ' ' LEU . 51.6 Cg_exo -55.15 -168.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.437 2.091 . . . . 0.0 112.273 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -105.34 29.8 6.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -117.28 -42.18 2.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.547 ' O ' HD21 ' A' ' 163' ' ' LEU . 1.1 mp0 -98.73 31.41 2.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -67.21 -55.83 12.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -102.92 158.68 16.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 31.2 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.546 -0.222 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.508 ' CD2' HD13 ' A' ' 21' ' ' LEU . 11.4 m-85 -147.66 129.58 15.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.9 p -153.49 171.52 18.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.4 m120 60.62 32.44 20.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.937 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.3 mt -113.24 169.34 9.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -169.92 129.31 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.96 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.07 34.33 19.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -121.53 147.83 45.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.697 HG22 ' OG1' ' A' ' 42' ' ' THR . 24.8 t -107.86 109.79 29.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.063 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.515 HD12 HG22 ' A' ' 43' ' ' VAL . 12.8 mt -93.54 139.4 30.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -149.38 127.06 11.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.533 ' HD2' HD21 ' A' ' 28' ' ' LEU . 66.7 mttm -119.55 -179.95 4.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.66 167.16 16.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.946 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.96 -56.77 17.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.062 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.87 -31.13 69.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.952 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -70.51 -42.47 71.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.953 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.533 HD21 ' HD2' ' A' ' 23' ' ' LYS . 27.5 mt -79.85 -56.01 4.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.982 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 63.26 34.24 13.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.99 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 59.25 94.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.5 mtt85 -147.19 168.41 21.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -67.16 126.16 28.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.854 ' HB ' HD12 ' A' ' 52' ' ' LEU . 21.8 t -103.32 109.4 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.0 tp -108.11 104.6 14.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.5 ' HB3' HD11 ' A' ' 38' ' ' LEU . 6.3 mt -117.13 122.25 43.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.3 t -153.52 164.65 37.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 62.82 35.55 13.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.5 HD11 ' HB3' ' A' ' 35' ' ' LEU . 60.8 mt -97.21 152.97 18.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 72.6 m -161.69 112.88 1.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 60.28 32.01 20.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.792 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.53 148.2 29.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.697 ' OG1' HG22 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -106.67 131.59 53.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.58 ' HB ' HD12 ' A' ' 62' ' ' LEU . 21.2 t -123.22 147.75 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.23 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.6 mtm-85 -157.2 99.94 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.6 mt -93.27 134.96 34.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -121.28 107.22 12.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 158.98 -121.76 1.08 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.553 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -160.5 69.19 2.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.746 0.308 . . . . 0.0 110.855 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.54 149.51 30.8 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.555 2.17 . . . . 0.0 112.273 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -69.49 -69.28 0.35 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.15 100.03 4.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.854 HD12 ' HB ' ' A' ' 33' ' ' VAL . 38.9 tp -69.09 136.52 52.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.66 100.67 4.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.592 HD13 HD13 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -110.65 127.43 55.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 36.6 p -151.08 163.33 39.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.949 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt 59.05 33.12 22.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.18 144.77 27.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.065 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -147.6 118.66 7.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.8 m 61.03 30.15 19.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 15.0 m -111.4 151.46 28.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -115.62 146.42 41.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.592 HD13 HD13 ' A' ' 54' ' ' LEU . 0.8 OUTLIER -138.9 132.06 29.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.875 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.41 HD23 ' HB3' ' A' ' 82' ' ' ALA . 6.4 mt -141.74 103.9 4.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.8 p -134.2 165.27 25.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.78 -179.98 21.29 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.481 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -64.74 119.7 6.8 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.66 2.24 . . . . 0.0 112.276 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.435 HG22 ' N ' ' A' ' 68' ' ' SER . 12.3 p -60.8 156.35 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.435 ' N ' HG22 ' A' ' 67' ' ' VAL . 0.3 OUTLIER -71.15 -49.6 42.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.952 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.08 -77.78 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.016 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.3 m -164.04 -179.97 6.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.996 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.774 HG21 HG11 ' A' ' 83' ' ' VAL . 24.3 t -123.67 158.66 29.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.487 ' N ' HG12 ' A' ' 71' ' ' VAL . 17.4 t80 -131.85 125.77 32.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.45 ' CD1' HD13 ' A' ' 81' ' ' LEU . 5.0 tp -121.23 136.0 55.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.818 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -161.77 143.38 11.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 61.74 39.93 13.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 76.8 m -116.56 148.6 40.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.6 t -160.43 140.36 11.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 59.98 30.61 20.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.943 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.418 ' HB2' HG23 ' A' ' 96' ' ' THR . 22.5 m -112.65 168.64 9.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.836 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 22.5 t -132.25 91.57 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.06 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.45 HD13 ' CD1' ' A' ' 73' ' ' LEU . 1.3 tp -88.33 142.15 27.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.41 ' HB3' HD23 ' A' ' 63' ' ' LEU . . . -146.67 99.75 3.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.774 HG11 HG21 ' A' ' 71' ' ' VAL . 9.9 p -158.22 122.47 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.044 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.55 124.63 25.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.993 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.2 p -141.78 179.98 6.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.981 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.478 ' OE1' HD21 ' A' ' 135' ' ' LEU . 0.1 OUTLIER -92.69 -49.72 5.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.79 112.38 14.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.572 HD22 HD11 ' A' ' 100' ' ' LEU . 21.9 tp -90.48 124.22 34.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -117.28 115.45 25.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.468 HG22 ' N ' ' A' ' 91' ' ' HIS . 28.3 mt -119.64 158.39 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.468 ' N ' HG22 ' A' ' 90' ' ' ILE . 5.2 t60 -165.72 136.96 3.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.036 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 57.65 31.01 19.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 84.6 m -103.94 150.64 24.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.1 ptmm? -164.45 139.63 5.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.3 t0 59.78 38.48 21.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.418 HG23 ' HB2' ' A' ' 79' ' ' CYS . 3.2 m -118.61 101.36 8.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -71.82 102.37 2.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.86 HG22 HD22 ' A' ' 100' ' ' LEU . 4.2 mt -96.65 137.86 23.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.009 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.595 ' CZ ' HD11 ' A' ' 170' ' ' ILE . 26.1 m-85 -126.7 91.76 3.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.935 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.86 HD22 HG22 ' A' ' 98' ' ' ILE . 2.4 pt? -140.22 -179.96 6.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.931 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -136.08 98.16 3.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.2 m -81.17 133.02 30.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 68.5 p -97.7 -30.91 12.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 65.1 m -92.88 -77.01 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.028 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 43.7 mtt180 -161.22 179.98 7.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.031 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -134.38 138.81 45.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.029 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 22.9 mt -121.32 139.43 48.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.194 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.3 m -144.82 138.67 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.053 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -137.18 133.4 35.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.7 t70 53.55 28.93 8.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 87.5 m -90.95 146.14 24.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.91 126.66 6.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.13 32.06 36.74 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.534 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 24.3 mm -90.12 148.01 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.752 ' HG2' HD13 ' A' ' 163' ' ' LEU . 0.3 OUTLIER -115.47 111.98 21.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -93.5 129.0 39.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -151.98 145.09 17.33 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.062 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -56.12 171.38 0.84 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.471 2.114 . . . . 0.0 112.24 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.447 ' CE2' ' HB2' ' A' ' 121' ' ' TRP . 68.5 t80 -89.57 142.98 27.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.759 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.7 p -137.55 104.27 5.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.447 ' HB2' ' CE2' ' A' ' 119' ' ' TYR . 0.0 OUTLIER -178.56 123.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 179.865 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.615 ' HA ' HD13 ' A' ' 126' ' ' ILE . 0.9 OUTLIER -144.63 154.05 42.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.995 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -172.47 163.69 3.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -51.55 -27.65 26.02 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.646 2.23 . . . . 0.0 112.499 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.1 30.79 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.615 HD13 ' HA ' ' A' ' 122' ' ' SER . 1.0 OUTLIER -80.97 -43.86 20.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.137 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.474 ' N ' HG23 ' A' ' 126' ' ' ILE . 0.2 OUTLIER -59.58 -34.22 72.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.953 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -67.99 -30.63 69.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.961 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -77.06 -58.43 3.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.443 ' CZ ' ' HG2' ' A' ' 137' ' ' ARG . 27.8 m-85 -58.98 -34.98 72.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -65.3 -38.18 89.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.4 m -68.41 -52.58 31.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 14.8 p -68.19 -39.14 82.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.06 28.06 32.18 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.478 HD21 ' OE1' ' A' ' 86' ' ' GLN . 5.7 mt -92.45 168.68 11.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.774 0.321 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.3 144.46 45.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ARG . . . . . 0.443 ' HG2' ' CZ ' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -107.41 32.07 4.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.61 -44.67 1.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.814 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 47.8 mttm -77.13 91.8 3.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -82.07 162.42 22.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.815 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -175.79 38.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.846 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 41.7 p-90 -93.76 -13.32 27.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.39 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -75.41 -31.73 60.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.909 0.385 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -91.38 105.55 17.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.42 ' HB ' ' CZ2' ' A' ' 160' ' ' TRP . 21.6 t -121.4 139.84 47.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.29 179.29 4.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -157.07 114.36 3.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.961 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.689 0.281 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.52 63.46 1.65 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.507 2.138 . . . . 0.0 112.366 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -120.31 -48.82 2.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.817 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.42 ' CZ2' ' HB ' ' A' ' 145' ' ' VAL . 65.5 p-90 -117.8 148.51 42.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.71 168.29 16.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 35.8 mt -111.26 135.03 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.051 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.752 HD13 ' HG2' ' A' ' 115' ' ' GLN . 13.5 tp -63.17 136.2 96.58 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -73.61 -168.71 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.529 2.152 . . . . 0.0 112.314 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -97.47 39.63 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -125.57 -44.71 1.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.689 ' O ' HD21 ' A' ' 163' ' ' LEU . 3.0 mm-40 -104.89 31.82 4.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.984 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -77.3 -66.14 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -79.72 84.29 5.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 170' ' ' ILE . . . . . 0.595 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 1.8 mp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.673 ' CD2' HD13 ' A' ' 21' ' ' LEU . 6.8 m-85 -134.52 121.74 21.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.772 0.32 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.3 m -139.3 170.43 15.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.1 m120 62.6 39.07 11.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mt -129.59 134.51 47.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -135.96 131.25 34.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.65 32.97 20.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -116.04 171.87 7.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.435 ' O ' HD23 ' A' ' 21' ' ' LEU . 21.4 t -125.17 142.99 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.673 HD13 ' CD2' ' A' ' 13' ' ' PHE . 10.5 mt -133.22 137.33 46.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.943 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -139.15 113.2 8.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt -115.74 127.45 55.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.74 176.23 6.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.11 -31.42 72.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.7 m -76.79 -33.76 58.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -73.44 -33.33 64.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 mt -92.62 -49.76 5.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 59.19 40.58 21.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.95 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 60.21 81.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.98 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -138.09 -179.0 5.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -78.29 141.2 38.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.776 ' HB ' HD12 ' A' ' 52' ' ' LEU . 21.5 t -117.61 109.33 27.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.158 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.1 tp -118.38 136.83 53.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.522 ' HB2' HD12 ' A' ' 54' ' ' LEU . 4.9 mt -140.13 140.21 35.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 t -163.41 157.29 19.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 61.01 39.9 15.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.434 HD12 ' HB3' ' A' ' 35' ' ' LEU . 82.9 mt -112.13 133.97 53.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.99 116.42 13.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.796 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 60.52 33.57 20.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.1 t -106.2 113.97 27.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.11 122.79 25.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -118.68 118.66 58.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 37.1 mtt180 -123.32 101.91 7.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.712 HD12 ' HB2' ' A' ' 64' ' ' CYS . 3.2 mt -95.26 156.39 16.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.445 ' CE1' ' CH2' ' A' ' 121' ' ' TRP . 61.6 m-85 -146.44 104.78 3.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 163.4 -130.55 2.25 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.505 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -155.49 82.26 3.84 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 120.651 0.263 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.89 144.27 52.8 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.576 2.184 . . . . 0.0 112.335 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.52 -58.77 7.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.824 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.03 99.97 3.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.776 HD12 ' HB ' ' A' ' 33' ' ' VAL . 13.2 tp -70.03 146.38 51.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.797 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -152.72 135.64 15.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.972 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.8 HD22 HD22 ' A' ' 62' ' ' LEU . 47.6 tp -143.26 126.44 16.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.741 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.1 p -149.75 161.92 41.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt 59.62 31.41 20.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.57 143.71 29.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.058 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -146.58 122.46 10.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 m 60.18 31.17 20.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 55.7 m -108.71 163.32 13.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -124.67 117.4 24.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.8 HD22 HD22 ' A' ' 54' ' ' LEU . 16.3 tp -106.09 123.79 48.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.95 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.6 mt -136.37 111.83 9.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.712 ' HB2' HD12 ' A' ' 45' ' ' LEU . 52.1 t -143.86 156.12 44.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.09 -179.88 17.69 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.406 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.574 ' HB2' HD12 ' A' ' 135' ' ' LEU . 16.1 Cg_endo -57.26 114.39 1.92 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.674 2.249 . . . . 0.0 112.175 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.489 HG22 ' N ' ' A' ' 68' ' ' SER . 12.2 p -57.53 158.53 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.206 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.489 ' N ' HG22 ' A' ' 67' ' ' VAL . 10.1 t -63.17 -53.65 49.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.2 -78.01 0.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.077 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.0 m -149.02 -179.99 7.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.08 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.564 HG22 ' HB3' ' A' ' 52' ' ' LEU . 21.9 t -127.46 159.04 38.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.488 ' N ' HG12 ' A' ' 71' ' ' VAL . 2.0 t80 -127.36 139.05 53.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.79 HD13 HD13 ' A' ' 81' ' ' LEU . 4.3 tp -132.16 132.74 43.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -156.54 135.97 12.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.064 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 62.89 40.13 9.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.051 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.2 m -107.6 133.72 51.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.818 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -149.52 139.05 21.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 59.2 30.29 20.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 84.6 m -115.07 159.53 20.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.17 91.86 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.838 HD21 HG22 ' A' ' 83' ' ' VAL . 8.5 tt -86.85 149.91 24.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.962 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -154.64 97.91 2.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.838 HG22 HD21 ' A' ' 81' ' ' LEU . 5.3 m -155.01 120.6 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.161 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.417 ' O ' HG12 ' A' ' 67' ' ' VAL . . . -68.94 144.34 54.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.055 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.416 ' HB3' HG12 ' A' ' 67' ' ' VAL . 27.6 p -168.66 160.14 10.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.957 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -72.33 -37.57 68.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -136.22 153.31 51.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.672 HD22 HD11 ' A' ' 100' ' ' LEU . 16.7 tp -132.18 154.86 49.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -144.69 114.74 7.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.487 HG22 ' N ' ' A' ' 91' ' ' HIS . 19.3 mt -118.33 158.6 19.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.074 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.487 ' N ' HG22 ' A' ' 90' ' ' ILE . 21.7 t-80 -166.24 145.09 5.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.988 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 51.09 28.23 3.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.491 ' O ' HD11 ' A' ' 114' ' ' ILE . 47.6 m -102.59 135.02 44.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -144.71 131.67 20.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 60.1 39.99 18.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.011 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.0 m -119.5 113.87 21.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 -72.17 145.32 48.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.062 HG22 HD22 ' A' ' 100' ' ' LEU . 20.7 mt -138.98 109.26 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.198 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.596 ' CZ ' HD11 ' A' ' 170' ' ' ILE . 63.7 m-85 -103.69 93.56 4.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 1.062 HD22 HG22 ' A' ' 98' ' ' ILE . 1.8 pt? -143.13 171.96 13.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -124.01 105.19 9.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 15.1 m -91.57 138.46 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 46.1 p -109.52 -31.38 7.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.73 -74.3 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.7 ptp85 -176.33 153.79 1.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.643 ' HB3' HG13 ' A' ' 145' ' ' VAL . . . -105.53 147.54 28.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.081 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 23.6 mm -119.14 130.51 73.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 29.1 m -132.84 130.6 58.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.081 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -140.23 126.17 19.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 61.26 31.58 19.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 56.3 m -108.69 155.85 20.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 41.4 m -159.37 138.07 10.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.951 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 69.74 30.71 70.44 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.474 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.491 HD11 ' O ' ' A' ' 93' ' ' THR . 29.7 mm -83.41 158.19 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.786 0.327 . . . . 0.0 111.186 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.472 ' N ' HG22 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -122.18 123.17 40.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -115.25 118.82 34.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -148.69 152.74 38.32 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.31 169.15 0.33 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.611 2.208 . . . . 0.0 112.297 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.441 ' CE2' ' HB2' ' A' ' 121' ' ' TRP . 74.4 t80 -82.71 143.56 30.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 4.9 p -138.4 110.25 7.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.445 ' CH2' ' CE1' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -177.69 91.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.82 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 68.4 m -85.48 115.07 22.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.06 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.455 ' CG ' ' HD2' ' A' ' 124' ' ' PRO . 0.1 OUTLIER -134.09 152.82 79.08 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.737 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.455 ' HD2' ' CG ' ' A' ' 123' ' ' TYR . 29.7 Cg_endo -63.31 -25.76 71.64 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.511 2.14 . . . . 0.0 112.317 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -107.57 40.07 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.828 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -89.3 -34.19 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.209 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -59.57 -55.71 31.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.23 -31.38 70.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.59 -48.69 80.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.809 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -68.11 -36.46 79.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -68.19 -41.57 81.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.8 m -74.89 -34.9 62.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.955 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 44.2 p -65.11 -32.69 74.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.56 31.13 41.97 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.548 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.574 HD12 ' HB2' ' A' ' 66' ' ' PRO . 19.7 mt -102.51 -178.2 3.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.352 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.34 122.84 41.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.812 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -82.44 -33.61 28.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.14 -31.65 70.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.964 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -76.72 115.57 16.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -135.12 94.5 3.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -141.14 82.27 1.82 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 52.1 p-90 -103.24 34.19 3.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -117.09 -44.74 2.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -74.02 109.87 7.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.643 HG13 ' HB3' ' A' ' 106' ' ' ALA . 21.5 t -121.03 157.67 24.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' ASP . . . . . 0.457 ' N ' HG12 ' A' ' 145' ' ' VAL . 0.5 OUTLIER -105.47 110.99 23.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.11 120.53 34.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.535 0.207 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -77.18 59.12 6.46 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.485 2.124 . . . . 0.0 112.388 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -128.8 -54.23 1.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 62.0 p-90 -94.93 162.59 13.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.51 171.9 16.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 33.1 mt -112.88 139.33 38.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.083 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.626 HD23 ' HG2' ' A' ' 168' ' ' ARG . 9.4 tp -71.78 136.07 83.04 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.758 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.69 -174.41 0.71 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.442 2.094 . . . . 0.0 112.282 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -98.49 28.08 4.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.962 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -120.76 -38.25 2.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.042 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.587 ' O ' HD21 ' A' ' 163' ' ' LEU . 5.6 mm-40 -97.11 36.12 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 168' ' ' ARG . . . . . 0.626 ' HG2' HD23 ' A' ' 163' ' ' LEU . 18.9 mtp180 -105.4 30.95 5.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.867 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -136.71 75.21 1.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 170' ' ' ILE . . . . . 0.596 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 3.3 mp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.093 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -135.38 130.81 35.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.851 0.357 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.0 p -165.05 176.76 8.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 60.62 36.9 19.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.411 ' HB2' HD23 ' A' ' 38' ' ' LEU . 18.2 mt -117.24 160.06 21.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -148.31 121.73 9.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 m 60.86 37.14 18.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -112.93 155.09 25.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.6 t -122.53 119.32 57.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.098 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.804 HD12 HG22 ' A' ' 43' ' ' VAL . 13.7 mt -102.49 165.3 11.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -162.54 116.52 1.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.467 ' HD2' HD22 ' A' ' 45' ' ' LEU . 41.9 mttt -116.8 158.93 23.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.812 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.17 171.82 7.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.806 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.59 -30.98 72.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.119 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.93 -33.42 74.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.65 -53.41 9.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.56 -74.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 60.87 55.77 3.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.72 85.84 0.11 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.36 170.65 20.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -85.54 150.73 24.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.76 132.73 65.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.063 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.4 tp -124.93 125.04 43.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mt -137.28 123.49 20.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 t -155.47 168.59 26.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.0 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 61.03 39.93 15.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.411 HD23 ' HB2' ' A' ' 16' ' ' LEU . 1.1 mt -118.75 139.45 51.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.6 m -133.38 120.24 20.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 60.54 31.74 20.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.773 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.0 t -99.47 168.05 10.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.684 HG23 ' HB2' ' A' ' 61' ' ' LYS . 0.7 OUTLIER -136.82 137.25 39.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.804 HG22 HD12 ' A' ' 21' ' ' LEU . 21.3 t -136.73 141.33 41.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.165 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -140.4 117.71 11.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.467 HD22 ' HD2' ' A' ' 23' ' ' LYS . 13.2 mt -107.77 126.04 52.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -107.3 113.73 27.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 147.16 -121.61 1.43 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -165.21 87.75 1.0 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.702 0.287 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 170.01 17.47 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.591 2.194 . . . . 0.0 112.342 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -84.27 -54.72 4.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.3 m -146.01 122.47 11.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.658 HD21 ' CD2' ' A' ' 62' ' ' LEU . 58.4 tp -89.1 133.39 34.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.64 116.5 17.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.6 tp -132.61 125.9 31.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.5 p -149.32 157.58 43.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.922 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mttt 60.22 36.88 20.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.06 140.05 30.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.048 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.1 m80 -133.59 106.73 7.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.1 m 60.19 29.96 19.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 86.4 m -95.42 152.79 18.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.684 ' HB2' HG23 ' A' ' 42' ' ' THR . 70.0 mttt -120.49 138.21 53.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.85 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.701 HD12 ' HB ' ' A' ' 43' ' ' VAL . 0.7 OUTLIER -134.93 128.16 31.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.423 HD22 ' CD1' ' A' ' 121' ' ' TRP . 1.6 mt -135.95 99.91 4.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.755 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 21.5 p -130.22 170.41 14.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.98 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.441 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -72.34 -179.95 35.21 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.436 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.426 ' HG3' ' CD1' ' A' ' 130' ' ' PHE . 36.8 Cg_endo -65.7 116.84 4.16 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.507 2.138 . . . . 0.0 112.295 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.481 HG22 ' N ' ' A' ' 68' ' ' SER . 11.0 p -59.97 158.58 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.481 ' N ' HG22 ' A' ' 67' ' ' VAL . 1.2 t -64.58 -54.27 34.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -104.62 -79.21 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.059 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.5 m -158.73 -179.91 8.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.008 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.958 HG21 HG11 ' A' ' 83' ' ' VAL . 22.0 t -116.09 159.22 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.491 ' N ' HG12 ' A' ' 71' ' ' VAL . 16.6 m-85 -130.23 112.02 12.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.48 HD13 HD22 ' A' ' 81' ' ' LEU . 1.3 tp -113.41 142.47 45.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.787 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -167.15 144.7 4.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.952 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 61.51 40.05 14.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 54.3 m -108.92 146.32 33.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.5 t -146.98 124.65 11.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.96 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.7 31.12 20.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.0 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.569 ' HB2' HG23 ' A' ' 96' ' ' THR . 76.5 m -101.75 160.81 14.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.51 89.99 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.552 ' HB3' HG23 ' A' ' 98' ' ' ILE . 17.1 tp -81.17 125.94 30.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.935 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 62' ' ' LEU . . . -123.71 104.78 9.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.958 HG11 HG21 ' A' ' 71' ' ' VAL . 10.9 p -169.36 120.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.06 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.46 122.62 24.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.7 p -143.84 178.0 8.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.995 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.49 ' HG3' HD22 ' A' ' 135' ' ' LEU . 32.0 mt-30 -92.49 -30.56 15.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -144.55 155.29 43.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.55 HD22 HD13 ' A' ' 100' ' ' LEU . 57.3 tp -148.09 119.9 8.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -103.82 107.03 17.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.036 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.9 mt -102.26 147.23 9.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -153.86 137.61 16.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.058 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.6 m 57.51 30.64 19.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.482 ' O ' HD11 ' A' ' 114' ' ' ILE . 32.4 m -105.92 135.39 47.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.6 ptpt -147.4 138.17 23.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 57.33 36.67 27.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.569 HG23 ' HB2' ' A' ' 79' ' ' CYS . 87.7 m -120.25 116.59 25.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -75.01 145.23 42.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.744 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.063 HG22 HD22 ' A' ' 100' ' ' LEU . 20.4 mt -142.25 104.1 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.15 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.615 ' CZ ' HD13 ' A' ' 163' ' ' LEU . 39.5 m-85 -97.68 100.26 11.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.823 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 1.063 HD22 HG22 ' A' ' 98' ' ' ILE . 2.5 pt? -145.78 169.5 18.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -115.68 89.91 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.838 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.527 ' O ' HG23 ' A' ' 102' ' ' VAL . 26.8 m -82.41 115.37 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.164 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 34.0 p -78.24 -30.27 48.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -100.65 -76.62 0.55 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.2 ptt85 -174.78 177.97 1.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -134.08 147.27 50.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 29.1 mt -107.03 147.61 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.569 HG22 ' O ' ' A' ' 146' ' ' ASP . 15.5 m -145.46 119.74 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.163 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -126.65 130.8 51.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 59.56 29.72 19.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 14.3 m -106.24 163.94 12.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.5 m -167.71 130.79 1.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.01 28.13 50.9 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.525 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.482 HD11 ' O ' ' A' ' 93' ' ' THR . 26.7 mm -83.3 139.46 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.803 0.335 . . . . 0.0 111.082 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.94 116.81 31.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -102.61 125.17 49.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -144.66 149.18 42.58 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.418 ' HD3' ' CE3' ' A' ' 142' ' ' TRP . 45.4 Cg_exo -55.95 -168.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.597 2.198 . . . . 0.0 112.247 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -111.42 120.18 41.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.833 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 3.3 t -101.85 -29.21 11.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.423 ' CD1' HD22 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -57.42 99.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.009 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.662 ' HA ' HD13 ' A' ' 126' ' ' ILE . 1.1 m -139.75 174.25 10.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -154.7 164.69 20.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -50.91 -27.44 20.84 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.545 2.163 . . . . 0.0 112.317 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -124.66 62.82 1.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.662 HD13 ' HA ' ' A' ' 122' ' ' SER . 0.5 OUTLIER -109.62 -27.98 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.74 -31.33 71.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -62.75 -43.01 99.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.86 -48.33 82.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.426 ' CD1' ' HG3' ' A' ' 66' ' ' PRO . 12.6 m-85 -58.81 -32.08 69.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.48 -37.42 74.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.8 m -63.12 -31.62 72.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.01 -44.78 10.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.63 31.05 5.91 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.439 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.49 HD22 ' HG3' ' A' ' 86' ' ' GLN . 65.5 mt -89.15 152.39 21.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.804 0.335 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.11 128.09 33.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -97.11 -37.97 9.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 24.5 t -62.56 -34.45 76.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -73.59 161.6 30.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -176.16 85.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.837 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -104.25 52.18 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' TRP . . . . . 0.418 ' CE3' ' HD3' ' A' ' 118' ' ' PRO . 39.9 p-90 -77.83 -27.79 50.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.072 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -60.43 -48.26 82.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -75.02 146.37 41.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.992 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.413 ' HB ' ' CE2' ' A' ' 160' ' ' TRP . 21.6 t -152.44 139.04 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' ASP . . . . . 0.569 ' O ' HG22 ' A' ' 108' ' ' VAL . 0.3 OUTLIER -86.08 170.35 12.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.817 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -169.92 132.04 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.945 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 CA--C 1.529 0.14 0 CA-C-O 120.579 0.228 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -68.97 63.63 1.34 Allowed 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.515 2.143 . . . . 0.0 112.24 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -131.52 -53.46 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.413 ' CE2' ' HB ' ' A' ' 145' ' ' VAL . 68.3 p-90 -105.58 124.81 50.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 1.9 m -106.76 170.3 8.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 162' ' ' ILE . . . . . 0.48 HG22 ' N ' ' A' ' 163' ' ' LEU . 29.4 mt -106.35 159.06 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.056 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.615 HD13 ' CZ ' ' A' ' 99' ' ' PHE . 1.8 tt -98.68 135.17 21.13 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 164' ' ' PRO . . . . . 0.521 ' O ' HD23 ' A' ' 163' ' ' LEU . 72.8 Cg_endo -74.93 178.93 6.58 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.51 2.14 . . . . 0.0 112.377 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -81.75 -29.11 32.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.8 -30.82 70.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.96 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.469 ' HB2' HD21 ' A' ' 163' ' ' LEU . 58.5 mm-40 -96.61 -22.14 17.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.217 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.72 -30.15 42.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.083 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -73.73 123.47 24.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 29.1 mt . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.932 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.549 -0.22 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -144.08 113.77 7.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.0 p -144.93 175.84 9.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.969 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 62.89 31.21 16.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.558 HD13 HD21 ' A' ' 21' ' ' LEU . 10.1 mt -116.06 145.35 43.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -145.54 132.66 20.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 m 60.62 31.74 20.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -116.53 173.75 6.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.4 t -128.88 128.16 67.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.558 HD21 HD13 ' A' ' 16' ' ' LEU . 33.6 mt -114.91 141.08 48.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -141.57 156.77 45.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -156.99 157.3 34.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.944 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.2 mmt-85 -116.25 167.32 11.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.807 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.15 -33.54 75.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.3 t -69.73 -33.59 72.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.98 -39.18 66.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 mt -85.44 -69.25 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 60.57 54.48 3.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 61.73 94.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -154.63 174.94 14.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -89.26 125.55 35.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.522 HG11 HD11 ' A' ' 45' ' ' LEU . 21.5 t -105.45 128.49 59.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.124 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.6 tp -126.12 127.16 45.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.741 ' HB2' HD12 ' A' ' 54' ' ' LEU . 3.3 mt -137.62 121.67 17.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.1 t -152.37 167.41 28.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.958 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 59.57 37.72 22.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.2 mt -108.68 148.11 30.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 m -148.52 114.62 5.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 61.36 30.84 19.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.9 t -106.99 135.95 47.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.31 139.06 30.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.48 141.31 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.195 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.557 ' O ' HD23 ' A' ' 45' ' ' LEU . 5.5 mtm180 -155.82 124.43 5.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.557 HD23 ' O ' ' A' ' 44' ' ' ARG . 12.0 mt -129.48 103.63 7.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -89.34 100.02 12.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 174.64 -133.29 2.44 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -151.87 67.95 7.32 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.958 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.42 158.2 5.92 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.518 2.146 . . . . 0.0 112.346 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -78.89 -63.97 1.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.8 m -135.44 106.58 6.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.666 HD21 HD21 ' A' ' 62' ' ' LEU . 30.9 tp -72.48 158.03 36.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.935 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -164.04 126.22 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.741 HD12 ' HB2' ' A' ' 35' ' ' LEU . 5.4 tp -139.16 126.23 21.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 51.1 p -149.38 159.6 44.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt 58.9 32.91 22.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.964 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.01 139.35 38.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -138.75 122.99 18.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m 60.37 30.67 20.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 36.4 m -109.54 155.87 20.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.1 mttt -118.92 141.44 48.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.666 HD21 HD21 ' A' ' 52' ' ' LEU . 32.0 tp -133.01 112.89 12.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.65 HD23 ' CB ' ' A' ' 82' ' ' ALA . 5.9 mt -128.52 103.72 7.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 30.9 p -132.41 166.89 20.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.92 -179.87 16.83 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.423 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -61.39 120.1 7.58 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.699 2.266 . . . . 0.0 112.205 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.483 HG22 ' N ' ' A' ' 68' ' ' SER . 13.1 p -59.2 158.92 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.188 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.483 ' N ' HG22 ' A' ' 67' ' ' VAL . 9.9 t -71.07 -51.56 24.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.962 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.2 p -113.43 -78.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.073 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.8 m -152.83 -179.95 8.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.642 HG13 ' HB3' ' A' ' 52' ' ' LEU . 22.0 t -125.42 158.88 33.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.488 ' N ' HG12 ' A' ' 71' ' ' VAL . 6.9 m-85 -129.24 129.41 44.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.939 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.483 HD13 HD13 ' A' ' 81' ' ' LEU . 6.9 tp -124.75 134.95 52.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.809 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -161.49 141.07 10.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 61.78 39.45 13.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 63.3 m -111.5 135.66 51.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.29 133.18 20.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 60.17 39.0 19.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.665 ' HB2' HG23 ' A' ' 96' ' ' THR . 1.9 m -115.13 159.35 21.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.5 89.99 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.483 HD13 HD13 ' A' ' 73' ' ' LEU . 1.6 tp -80.81 148.82 29.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.65 ' CB ' HD23 ' A' ' 63' ' ' LEU . . . -153.52 97.68 2.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.055 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.462 HG11 HG21 ' A' ' 71' ' ' VAL . 10.5 p -163.92 122.87 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.09 125.23 28.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.972 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.4 ' HB3' ' CG1' ' A' ' 67' ' ' VAL . 31.7 p -142.51 179.95 6.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.937 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -94.45 -42.33 8.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.758 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -126.72 156.34 41.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.746 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.449 HD22 HD11 ' A' ' 100' ' ' LEU . 24.4 tp -139.53 140.35 37.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.016 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.41 ' HD2' ' CE2' ' A' ' 72' ' ' PHE . 0.4 OUTLIER -131.8 103.52 6.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.516 HD12 HG12 ' A' ' 108' ' ' VAL . 3.8 mt -108.42 141.47 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.042 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -152.2 135.99 16.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m 58.09 33.27 23.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.072 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.443 ' O ' HD11 ' A' ' 114' ' ' ILE . 89.1 m -104.75 143.82 32.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.868 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.7 pttm -156.44 135.95 12.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.945 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 58.9 34.58 23.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.961 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.665 HG23 ' HB2' ' A' ' 79' ' ' CYS . 22.6 m -115.42 99.96 7.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.58 130.39 44.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.757 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.627 HG22 HD22 ' A' ' 100' ' ' LEU . 3.8 mt -126.57 134.34 66.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.178 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.608 ' CD2' ' HB3' ' A' ' 117' ' ' ALA . 30.5 m-85 -126.33 102.72 7.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.627 HD22 HG22 ' A' ' 98' ' ' ILE . 2.1 pt? -150.12 169.87 20.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.991 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -126.78 89.95 3.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.798 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 21.6 m -68.3 132.75 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.191 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 p -107.67 29.65 7.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.795 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 m -162.63 -68.98 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.3 169.21 2.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -134.26 157.68 45.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.066 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 32.3 mt -128.26 139.82 50.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.2 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.572 HG23 ' HA ' ' A' ' 147' ' ' ASP . 14.2 m -143.38 122.98 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.056 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -133.69 136.83 44.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.4 t70 61.2 31.42 19.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.822 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 18.2 m -109.99 160.1 16.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.933 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 47.5 m -160.09 136.49 8.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.51 28.55 70.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.495 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.443 HD11 ' O ' ' A' ' 93' ' ' THR . 28.7 mm -78.25 146.85 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.845 0.355 . . . . 0.0 111.055 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.27 133.63 55.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.519 ' CD2' HG21 ' A' ' 145' ' ' VAL . 74.0 m-85 -122.92 121.43 36.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.608 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . . . -127.1 157.84 70.91 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.165 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.454 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 55.4 Cg_endo -70.03 151.81 67.67 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.604 2.203 . . . . 0.0 112.302 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -89.35 124.24 34.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.8 t -140.33 66.34 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.464 ' O ' HD12 ' A' ' 126' ' ' ILE . 0.0 OUTLIER -113.44 90.52 3.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.4 m -92.91 152.04 19.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -151.97 166.34 15.47 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_exo -51.07 -27.29 21.3 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.536 2.157 . . . . 0.0 112.403 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -146.72 87.1 1.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.814 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.464 HD12 ' O ' ' A' ' 121' ' ' TRP . 17.5 tt -109.48 -25.46 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.249 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.92 -48.78 75.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 10.7 mttp -63.99 -37.51 87.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.6 -35.56 79.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -75.57 -37.05 60.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.823 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -63.39 -39.48 94.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.2 m -61.52 -33.98 74.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 19.9 p -87.06 -32.74 19.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.99 31.04 29.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.472 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 45.0 mt -92.43 134.74 34.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -86.78 120.35 27.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.57 -42.86 33.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.0 -36.78 78.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -100.85 122.77 44.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -173.77 171.16 3.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -160.63 84.49 0.69 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.805 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' TRP . . . . . 0.404 ' CZ3' ' OD1' ' A' ' 143' ' ' ASN . 67.0 p-90 -84.99 -22.54 29.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.156 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' ASN . . . . . 0.404 ' OD1' ' CZ3' ' A' ' 142' ' ' TRP . 25.6 m-20 -82.31 57.53 3.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.945 0.402 . . . . 0.0 110.957 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -170.16 111.89 0.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.811 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.519 HG21 ' CD2' ' A' ' 116' ' ' PHE . 21.3 t -130.28 121.67 51.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.183 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.66 104.05 16.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.798 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.572 ' HA ' HG23 ' A' ' 108' ' ' VAL . 10.5 p-10 -85.03 152.56 23.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.006 179.911 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 CA--C 1.528 0.113 0 CA-C-O 120.568 0.223 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -68.41 65.98 1.11 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.485 2.123 . . . . 0.0 112.249 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -149.18 -61.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 62.3 p-90 -95.33 171.14 8.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 1.4 m -154.93 160.37 41.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 27.8 mt -99.39 133.79 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 168' ' ' ARG . 22.6 tp -69.45 124.72 91.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.81 170.29 0.47 Allowed 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.355 2.037 . . . . 0.0 112.26 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -70.08 -42.85 72.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.751 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -59.88 -31.34 69.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.41 ' HB3' HD11 ' A' ' 163' ' ' LEU . 4.4 mm-40 -91.6 -23.72 19.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.065 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 168' ' ' ARG . . . . . 0.504 ' HA ' HD23 ' A' ' 163' ' ' LEU . 4.0 mtm-85 -54.65 -47.6 73.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.873 0.368 . . . . 0.0 111.055 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -73.13 105.53 4.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 30.7 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.023 -179.892 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -137.45 151.76 48.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.892 0.377 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.3 p -169.74 174.31 5.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 61.16 35.25 18.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.481 HD12 HD21 ' A' ' 38' ' ' LEU . 2.7 mt -119.67 148.32 43.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -146.05 125.29 12.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.23 35.38 20.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -113.96 163.5 15.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.55 HG22 ' OG1' ' A' ' 42' ' ' THR . 19.1 t -122.31 109.77 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.077 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.469 HD11 HD13 ' A' ' 16' ' ' LEU . 23.9 mt -93.88 144.59 25.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -140.28 131.18 26.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.617 ' HD2' HD22 ' A' ' 45' ' ' LEU . 18.4 mttm -128.02 179.54 5.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.85 173.48 11.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.16 -31.05 71.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.117 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.67 -32.73 62.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -70.3 -52.2 24.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 mt -60.19 -58.61 7.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.948 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.6 t60 59.99 34.04 21.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 60.17 87.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 -153.19 163.12 40.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.3 132.32 49.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.746 ' HB ' HD12 ' A' ' 52' ' ' LEU . 21.5 t -111.34 123.77 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.137 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.7 tp -129.18 137.3 51.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.514 ' HB3' HD11 ' A' ' 38' ' ' LEU . 3.7 mp -144.65 138.18 27.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.1 t -162.84 167.88 22.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 61.09 38.73 16.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.514 HD11 ' HB3' ' A' ' 35' ' ' LEU . 4.3 mt -112.71 136.99 51.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.63 111.99 12.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.4 t30 59.81 32.03 21.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.001 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.6 t -96.59 136.71 36.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.55 ' OG1' HG22 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -93.81 126.74 39.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.3 t -121.29 126.75 75.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.055 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -136.08 99.94 4.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.814 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.617 HD22 ' HD2' ' A' ' 23' ' ' LYS . 13.1 mt -98.76 140.19 33.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -126.99 131.26 51.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 134.14 -119.69 2.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.504 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -168.5 84.65 0.71 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.785 0.326 . . . . 0.0 110.777 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.27 164.88 34.23 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.531 2.154 . . . . 0.0 112.348 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.81 -69.66 0.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.2 m -136.85 113.99 10.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.0 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.746 HD12 ' HB ' ' A' ' 33' ' ' VAL . 27.8 tp -80.94 140.5 35.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -142.29 118.27 10.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.78 HD13 HD13 ' A' ' 62' ' ' LEU . 2.1 tp -121.0 132.35 54.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.0 p -153.53 155.21 35.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.052 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt 58.95 34.05 23.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.022 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.15 127.86 44.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -128.7 113.4 15.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.0 m 59.84 28.44 17.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.976 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 84.0 m -96.62 167.16 11.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.4 mttm -123.14 146.29 47.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.794 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.78 HD13 HD13 ' A' ' 54' ' ' LEU . 3.2 tt -152.25 125.1 8.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.829 HD23 ' HB3' ' A' ' 82' ' ' ALA . 5.3 mt -138.24 108.67 6.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.839 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.459 ' O ' HG23 ' A' ' 83' ' ' VAL . 49.3 t -130.89 156.95 44.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.991 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.79 -179.81 16.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.411 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.26 112.59 1.28 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.572 2.181 . . . . 0.0 112.223 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.491 HG22 ' N ' ' A' ' 68' ' ' SER . 11.3 p -64.5 158.74 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.491 ' N ' HG22 ' A' ' 67' ' ' VAL . 10.4 t -72.0 -52.97 14.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 p -98.57 -79.51 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.967 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.2 m -165.1 -179.97 6.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.938 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.553 HG13 ' HB3' ' A' ' 52' ' ' LEU . 21.6 t -121.61 157.87 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.464 ' N ' HG12 ' A' ' 71' ' ' VAL . 3.4 t80 -117.61 159.17 23.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.976 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.479 HD13 HD22 ' A' ' 81' ' ' LEU . 2.1 tp -159.34 107.57 1.8 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -142.19 145.78 34.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 63.3 34.22 13.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 95.5 m -107.5 146.47 31.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 66.0 p -154.97 131.76 10.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 59.78 33.32 21.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.949 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.656 ' H ' HG23 ' A' ' 96' ' ' THR . 0.1 OUTLIER -103.4 167.42 9.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.824 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -132.91 92.87 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.543 ' HB3' HG23 ' A' ' 98' ' ' ILE . 9.9 tp -90.66 153.68 20.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.829 ' HB3' HD23 ' A' ' 63' ' ' LEU . . . -157.97 97.26 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 64' ' ' CYS . 12.3 p -165.33 131.92 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.057 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.68 135.03 39.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.07 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.4 p -153.43 147.19 25.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.507 ' HG3' HD21 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -59.93 -41.49 91.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.3 171.12 14.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.993 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.664 HD21 HD11 ' A' ' 90' ' ' ILE . 21.5 tp -151.8 123.0 7.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.6 107.97 15.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.664 HD11 HD21 ' A' ' 88' ' ' LEU . 20.2 mt -112.02 154.15 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.404 ' N ' HG22 ' A' ' 90' ' ' ILE . 71.6 t60 -165.04 138.47 4.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 60.0 m 60.05 35.31 21.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.2 m -113.04 154.34 26.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.22 137.87 3.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.94 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 59.92 39.83 19.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.972 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.656 HG23 ' H ' ' A' ' 79' ' ' CYS . 0.2 OUTLIER -120.38 113.76 20.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.402 HH21 HD11 ' A' ' 163' ' ' LEU . 14.7 mtp180 -75.59 129.33 37.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.77 HG22 HD22 ' A' ' 100' ' ' LEU . 19.9 mt -134.0 120.08 34.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.476 ' CD2' ' HB3' ' A' ' 117' ' ' ALA . 9.7 m-85 -111.96 101.61 9.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.77 HD22 HG22 ' A' ' 98' ' ' ILE . 2.3 pt? -142.57 179.75 6.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -136.74 93.63 2.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.9 m -84.32 132.03 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.7 p -95.6 -31.14 13.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.5 m -89.42 -71.66 0.59 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -176.97 179.15 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.842 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.403 ' HB3' HG12 ' A' ' 145' ' ' VAL . . . -137.41 143.33 41.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 30.4 mm -116.67 135.46 56.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.7 m -141.09 124.09 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.18 133.32 50.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.3 t0 59.99 31.33 20.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 7.8 m -94.4 149.43 21.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.92 124.22 4.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.52 30.69 48.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.481 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.439 HG22 ' N ' ' A' ' 115' ' ' GLN . 27.5 mm -87.87 156.69 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 111.122 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.439 ' N ' HG22 ' A' ' 114' ' ' ILE . 0.1 OUTLIER -128.98 139.86 51.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -130.36 134.86 47.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.582 ' HB1' ' HD3' ' A' ' 168' ' ' ARG . . . -154.15 152.63 26.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.093 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -51.84 157.06 6.09 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.594 2.196 . . . . 0.0 112.275 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.44 ' CZ ' ' HB2' ' A' ' 121' ' ' TRP . 19.5 t80 -63.06 158.34 19.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.971 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -148.67 97.53 2.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.44 ' HB2' ' CZ ' ' A' ' 119' ' ' TYR . 0.0 OUTLIER -173.27 144.8 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.1 m -123.52 155.54 37.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.445 ' CG ' ' HD2' ' A' ' 124' ' ' PRO . 0.1 OUTLIER -160.4 145.61 11.09 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.778 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' A' ' 123' ' ' TYR . 25.8 Cg_endo -62.13 -32.98 83.27 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.498 2.132 . . . . 0.0 112.338 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -121.24 45.21 2.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.81 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.423 HG12 ' CE2' ' A' ' 130' ' ' PHE . 7.7 tt -83.97 -29.74 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.163 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.63 -31.36 68.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.994 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -87.29 -29.57 21.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -58.62 -54.79 43.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.423 ' CE2' HG12 ' A' ' 126' ' ' ILE . 22.5 m-85 -60.18 -45.96 91.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -63.68 -32.82 74.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 26.4 m -62.06 -64.29 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.31 -31.17 68.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.815 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.97 27.42 5.67 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.551 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.507 HD21 ' HG3' ' A' ' 86' ' ' GLN . 92.5 mt -89.91 172.74 8.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.832 0.348 . . . . 0.0 110.852 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.54 155.68 38.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.81 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -106.08 -31.18 8.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.0 t -98.33 30.63 3.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.002 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -138.3 94.99 2.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -107.11 134.77 49.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -142.56 47.27 1.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.803 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' TRP . . . . . 0.407 ' O ' ' CE3' ' A' ' 142' ' ' TRP . 46.1 p-90 -96.78 39.43 1.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.966 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -130.29 -45.96 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.84 107.27 14.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.403 HG12 ' HB3' ' A' ' 106' ' ' ALA . 17.8 m -128.88 142.8 43.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.25 100.44 13.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -86.25 135.66 33.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.529 0.138 0 CA-C-O 120.508 0.194 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.98 60.75 6.23 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.554 2.169 . . . . 0.0 112.304 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -126.61 -51.97 1.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 41.7 p-90 -106.88 175.28 5.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 18.6 m -159.26 176.33 12.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 162' ' ' ILE . . . . . 0.477 HG22 ' N ' ' A' ' 163' ' ' LEU . 21.7 mt -117.3 158.6 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.077 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.521 HD21 ' O ' ' A' ' 167' ' ' GLU . 25.4 tp -101.12 130.14 25.63 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.792 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.72 153.58 18.81 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.419 2.08 . . . . 0.0 112.18 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -30.81 70.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -73.24 -28.41 62.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.521 ' O ' HD21 ' A' ' 163' ' ' LEU . 48.1 mt-10 -97.73 27.62 4.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.018 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 168' ' ' ARG . . . . . 0.582 ' HD3' ' HB1' ' A' ' 117' ' ' ALA . 8.5 mtm180 -102.46 -30.19 11.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.941 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -70.99 93.91 1.04 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.961 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 27.6 mm . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 179.88 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.425 ' H ' HD23 ' A' ' 35' ' ' LEU . 31.6 m-85 -124.14 137.89 54.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.8 0.333 . . . . 0.0 110.929 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 m -154.06 174.63 14.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.4 m120 60.33 34.48 20.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.8 mt -132.86 140.31 47.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -143.17 150.56 39.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.961 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 m 59.59 32.53 21.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -121.66 168.38 11.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.6 110.31 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.474 HD12 HG22 ' A' ' 43' ' ' VAL . 16.0 mt -91.76 164.46 13.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -163.96 133.2 3.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -129.67 164.75 23.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -120.47 165.98 14.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.42 -43.88 97.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.052 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -66.53 -31.65 72.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -70.76 -40.27 72.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.5 mt -76.45 -61.66 1.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 60.53 43.16 13.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 63.65 78.15 0.3 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.837 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.74 -177.73 4.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -102.45 128.13 49.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -99.62 146.64 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 tp -149.16 102.74 3.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.73 ' HB2' HD12 ' A' ' 54' ' ' LEU . 54.9 mt -116.41 125.22 51.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.7 t -151.89 162.78 40.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.998 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 61.03 38.51 17.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.778 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 mt -120.81 137.78 54.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.88 127.77 23.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.702 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 61.01 30.43 19.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.6 t -115.37 107.37 15.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.434 HG23 ' HB2' ' A' ' 61' ' ' LYS . 3.5 m -69.74 138.26 52.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.474 HG22 HD12 ' A' ' 21' ' ' LEU . 21.5 t -130.85 140.02 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.3 mtt180 -141.05 125.99 18.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.4 mt -117.6 129.78 55.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -113.06 125.87 54.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 133.29 -137.35 9.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -151.8 87.23 4.43 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.721 0.296 . . . . 0.0 110.806 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -73.85 160.94 42.57 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.587 2.191 . . . . 0.0 112.4 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -69.12 -64.3 0.9 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.66 142.2 49.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.817 HD21 HD21 ' A' ' 62' ' ' LEU . 26.0 tp -109.62 122.81 48.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -129.77 115.19 16.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.852 HD13 HD13 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -130.96 128.81 41.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.3 p -150.29 162.52 40.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt 59.24 32.36 21.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.91 121.48 42.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -124.45 123.49 40.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.8 m 60.24 31.52 20.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.947 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 82.1 m -110.11 166.51 10.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.434 ' HB2' HG23 ' A' ' 42' ' ' THR . 25.8 mtpt -123.19 161.6 24.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.852 HD13 HD13 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -155.72 122.47 5.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.973 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.69 HD23 ' HB3' ' A' ' 82' ' ' ALA . 34.4 mt -130.83 99.96 5.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.753 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.428 ' O ' HG23 ' A' ' 83' ' ' VAL . 45.5 t -126.12 154.74 42.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.023 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.453 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -72.31 -179.79 34.79 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.45 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.753 ' HB2' HD12 ' A' ' 135' ' ' LEU . 12.8 Cg_endo -56.38 108.74 0.36 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.641 2.227 . . . . 0.0 112.102 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.487 HG22 ' N ' ' A' ' 68' ' ' SER . 11.9 p -57.36 158.73 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.142 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.487 ' N ' HG22 ' A' ' 67' ' ' VAL . 20.4 m -73.91 -51.25 16.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -102.12 -79.85 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.996 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.84 -179.95 7.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.614 HG13 ' HB3' ' A' ' 52' ' ' LEU . 25.0 t -119.57 157.04 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.086 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.457 ' N ' HG12 ' A' ' 71' ' ' VAL . 7.6 t80 -135.99 132.87 36.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.748 HD13 HD13 ' A' ' 81' ' ' LEU . 2.9 tp -125.43 145.4 50.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -165.48 139.07 4.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 60.85 40.0 16.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.959 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 9.1 m -110.2 148.2 32.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.5 p -159.43 132.59 7.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 59.88 30.47 20.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 t -104.96 160.69 14.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.979 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 30.3 t -125.45 89.95 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.974 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.748 HD13 HD13 ' A' ' 73' ' ' LEU . 7.0 tt -97.31 120.2 37.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.69 ' HB3' HD23 ' A' ' 63' ' ' LEU . . . -125.5 113.39 17.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.008 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.464 HG11 HD23 ' A' ' 52' ' ' LEU . 13.4 p -170.09 139.2 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.63 137.78 34.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.029 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.41 ' HB3' HG12 ' A' ' 67' ' ' VAL . 29.3 p -157.13 172.94 17.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.995 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -89.02 -42.21 11.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -129.1 163.47 25.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.404 HD22 HD11 ' A' ' 100' ' ' LEU . 21.5 tp -147.93 131.7 16.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.408 ' HB3' ' CE2' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -119.76 105.57 11.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.59 HD12 HG12 ' A' ' 108' ' ' VAL . 22.4 mt -103.38 147.23 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.133 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -160.2 132.65 6.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.983 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 m 58.75 29.04 18.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.008 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.443 ' O ' HD11 ' A' ' 114' ' ' ILE . 76.8 m -97.42 133.54 41.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.813 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.6 ptmm? -147.57 133.47 19.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.77 40.06 23.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.058 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.9 m -120.05 111.17 17.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 -80.23 112.12 17.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.514 HG22 HD22 ' A' ' 100' ' ' LEU . 1.4 mp -113.38 113.47 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.683 ' CD2' ' HB3' ' A' ' 117' ' ' ALA . 12.9 m-85 -101.06 92.38 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.798 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.514 HD22 HG22 ' A' ' 98' ' ' ILE . 2.0 pt? -129.44 178.99 6.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.982 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -135.95 90.01 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.795 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 18.7 m -79.57 138.22 20.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.202 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.82 -30.56 8.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.803 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 36.4 m -92.14 -69.9 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.34 177.73 1.45 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.712 ' HB3' HG13 ' A' ' 145' ' ' VAL . . . -136.79 152.44 50.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 21.8 mt -127.73 130.05 70.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.59 HG12 HD12 ' A' ' 90' ' ' ILE . 12.3 m -131.28 131.01 63.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.078 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -139.59 130.96 26.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.1 t0 60.03 31.63 20.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 21.9 m -110.75 155.65 22.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.5 m -155.41 134.38 12.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.963 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 76.75 27.88 60.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.572 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.443 HD11 ' O ' ' A' ' 93' ' ' THR . 26.7 mm -81.23 127.05 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 111.096 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.91 121.9 45.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.96 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -108.27 110.36 21.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.683 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . . . -121.26 146.5 44.76 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.038 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.45 -176.08 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.469 2.113 . . . . 0.0 112.347 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -93.65 101.39 13.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 40.6 p -83.34 -35.45 25.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.988 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.42 106.98 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -119.8 154.41 34.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.848 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.604 ' O ' HG22 ' A' ' 126' ' ' ILE . 0.2 OUTLIER -140.73 156.33 69.0 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.419 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 53.3 Cg_exo -52.45 -53.56 6.68 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.481 2.121 . . . . 0.0 112.276 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.87 38.33 1.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.604 HG22 ' O ' ' A' ' 123' ' ' TYR . 1.1 tp -76.16 -32.68 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.044 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.35 -48.19 81.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -60.26 -31.2 70.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -65.3 -46.9 78.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.956 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -64.59 -37.82 88.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -64.24 -31.6 72.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 18.3 m -60.41 -62.65 1.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 44.4 p -59.97 -34.05 72.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.2 28.09 5.64 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.753 HD12 ' HB2' ' A' ' 66' ' ' PRO . 83.5 mt -90.42 157.4 17.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.831 0.348 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -104.04 133.53 48.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.97 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -102.91 30.31 4.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.69 -61.49 1.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.958 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.44 130.56 35.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -140.85 121.06 13.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -123.54 51.64 1.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 45.2 p-90 -71.56 -31.25 66.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -62.41 -56.13 21.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.51 127.42 32.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.712 HG13 ' HB3' ' A' ' 106' ' ' ALA . 22.1 t -141.43 139.07 32.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -80.5 123.65 28.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.965 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.39 146.41 28.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.781 -180.0 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.704 0.287 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -73.33 61.5 4.19 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.511 2.141 . . . . 0.0 112.414 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -123.75 -41.72 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 32.8 p-90 -118.55 135.27 54.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.836 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 68.6 m -134.57 173.46 11.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 30.7 mm -113.83 139.28 40.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.703 HD21 ' O ' ' A' ' 167' ' ' GLU . 2.8 tp -79.4 138.43 55.52 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -67.86 148.12 76.1 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.447 2.098 . . . . 0.0 112.22 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.24 -27.71 64.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.032 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -70.2 -25.32 63.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.14 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.703 ' O ' HD21 ' A' ' 163' ' ' LEU . 38.4 mt-10 -96.92 28.29 3.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.071 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -105.96 32.14 4.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -129.68 87.08 2.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 3.6 mp . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -135.25 129.26 33.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.793 0.33 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.0 p -152.73 172.23 17.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 35.9 m120 60.35 37.66 20.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.717 HD13 HD11 ' A' ' 21' ' ' LEU . 3.0 mt -116.06 143.58 45.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -142.69 124.41 15.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.4 m 60.87 37.29 18.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -117.67 168.74 10.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.6 t -134.39 115.54 20.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.717 HD11 HD13 ' A' ' 16' ' ' LEU . 2.0 mt -104.2 156.23 18.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -147.42 111.21 5.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -105.7 179.43 4.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.29 -179.99 7.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -49.46 77.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.7 -33.01 73.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -33.89 67.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.845 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mt -83.3 -43.58 15.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.3 t60 59.71 24.83 13.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.046 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.07 84.08 0.08 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.009 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 45.0 mtt-85 -159.59 -178.75 7.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -69.26 149.2 48.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.594 ' HB ' HD12 ' A' ' 52' ' ' LEU . 21.5 t -124.88 158.55 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.48 ' N ' HG12 ' A' ' 33' ' ' VAL . 0.6 OUTLIER -145.55 128.84 16.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.443 HD13 ' CD1' ' A' ' 62' ' ' LEU . 7.2 mt -144.89 118.15 8.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.5 t -152.82 170.21 20.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 60.48 35.25 20.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.499 HD21 HD12 ' A' ' 16' ' ' LEU . 4.3 mt -108.83 133.55 52.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 m -137.48 122.99 19.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 59.36 31.22 20.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.5 t -110.41 163.97 13.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.8 m -128.77 142.99 50.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.18 132.84 66.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.137 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -126.09 100.01 6.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.6 mt -96.9 116.65 29.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.955 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -107.96 100.17 9.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 157.38 -147.73 16.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -142.26 83.84 11.93 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.726 0.298 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.86 172.45 12.72 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.56 2.173 . . . . 0.0 112.34 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -82.32 -66.76 0.85 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.969 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.17 108.65 8.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.997 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.688 ' HB3' HG22 ' A' ' 71' ' ' VAL . 41.3 tp -83.23 146.73 28.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.71 131.02 23.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.661 HD23 ' CD1' ' A' ' 73' ' ' LEU . 11.3 tp -142.37 103.3 4.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.6 p -133.49 161.97 33.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp 60.37 39.56 18.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.18 151.27 23.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.046 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -149.01 112.87 5.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 m 60.91 37.14 18.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 16.5 m -116.25 143.07 46.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.968 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -107.9 136.78 47.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.619 HD13 HD13 ' A' ' 54' ' ' LEU . 2.4 tt -132.97 134.32 44.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.971 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.409 HD13 ' HZ2' ' A' ' 121' ' ' TRP . 1.0 OUTLIER -133.59 120.14 20.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.813 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 51.5 t -142.83 155.82 44.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.35 -179.86 38.54 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.441 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.749 ' HB2' HD12 ' A' ' 135' ' ' LEU . 15.3 Cg_endo -57.11 106.29 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.751 2.301 . . . . 0.0 112.163 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.524 ' O ' HD11 ' A' ' 135' ' ' LEU . 11.9 p -58.17 158.82 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.266 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.494 ' N ' HG22 ' A' ' 67' ' ' VAL . 22.4 t -69.45 -54.89 12.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.23 -77.15 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.2 m -164.93 179.98 6.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.688 HG22 ' HB3' ' A' ' 52' ' ' LEU . 21.4 t -127.19 144.47 37.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -111.99 146.19 38.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.661 ' CD1' HD23 ' A' ' 54' ' ' LEU . 2.2 tp -142.9 135.09 27.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -160.44 148.3 16.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.025 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.02 39.74 19.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 73.9 m -118.19 131.78 56.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.8 p -138.96 139.09 37.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 59.86 30.93 20.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.69 ' HB2' HG23 ' A' ' 96' ' ' THR . 77.6 m -106.3 162.59 13.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.59 90.36 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.078 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.548 HD22 HD13 ' A' ' 73' ' ' LEU . 33.3 tp -87.21 152.77 22.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -156.53 99.49 1.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.044 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.596 HG11 HG21 ' A' ' 71' ' ' VAL . 11.3 p -159.23 122.74 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.046 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.23 138.71 57.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.467 ' HB3' HG12 ' A' ' 67' ' ' VAL . 28.8 p -163.89 154.72 15.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.414 ' HG3' HD22 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -67.73 -39.31 84.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -132.08 146.95 52.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.924 HD22 HD11 ' A' ' 100' ' ' LEU . 49.9 tp -128.6 105.58 8.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 70.8 mtm-85 -93.83 117.53 30.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.628 HD11 ' CD2' ' A' ' 88' ' ' LEU . 4.4 mt -125.15 137.48 57.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -150.64 134.91 17.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.94 36.51 12.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 32.1 m -110.22 146.12 36.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -158.11 133.72 8.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.988 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.4 t0 59.24 38.24 23.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.69 HG23 ' HB2' ' A' ' 79' ' ' CYS . 32.0 m -121.58 102.89 8.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.984 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -67.44 141.14 57.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.974 HG22 HD22 ' A' ' 100' ' ' LEU . 24.4 mt -138.81 116.45 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.732 ' CZ ' HD22 ' A' ' 163' ' ' LEU . 5.3 m-85 -104.37 95.82 6.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.974 HD22 HG22 ' A' ' 98' ' ' ILE . 2.3 pt? -142.47 172.19 13.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -124.11 102.92 7.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 8.1 m -89.42 121.27 39.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 47.0 p -77.53 -32.0 53.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 m -102.28 -71.58 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -174.73 167.14 3.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.482 ' HB3' HG13 ' A' ' 145' ' ' VAL . . . -111.34 126.29 54.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 21.3 mt -88.89 122.41 40.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.074 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 146' ' ' ASP . 19.8 m -127.82 156.74 39.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -168.25 126.63 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.919 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 60.74 31.57 20.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.603 ' SG ' HG22 ' A' ' 90' ' ' ILE . 85.5 m -114.34 128.51 56.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.83 139.53 47.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.36 28.42 57.88 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 25.0 mm -85.01 147.76 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.834 0.349 . . . . 0.0 111.11 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -125.18 116.67 22.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -99.38 165.73 11.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.945 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -169.97 152.38 4.39 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.09 145.51 49.7 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.599 2.199 . . . . 0.0 112.284 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.514 ' O ' HG23 ' A' ' 120' ' ' THR . 38.6 t80 -83.82 133.98 34.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 119' ' ' TYR . 2.1 p -160.04 42.0 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.996 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.435 ' HB2' ' CZ ' ' A' ' 119' ' ' TYR . 0.1 OUTLIER -61.97 163.13 8.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 49.2 m -118.04 123.75 46.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.493 ' O ' HG22 ' A' ' 126' ' ' ILE . 2.2 t80 -161.26 140.79 7.84 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.446 ' HD2' ' CG ' ' A' ' 123' ' ' TYR . 30.8 Cg_endo -63.64 -23.16 70.11 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.467 2.111 . . . . 0.0 112.308 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -121.26 53.9 1.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.493 HG22 ' O ' ' A' ' 123' ' ' TYR . 9.0 tt -110.02 -44.71 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.167 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.487 ' N ' HG23 ' A' ' 126' ' ' ILE . 25.5 m-20 -65.03 -32.69 74.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.961 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -79.03 -35.1 43.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.92 -34.73 75.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.27 -32.3 73.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -77.6 -39.99 43.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.6 m -60.23 -31.63 70.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 76.8 p -79.85 -43.51 22.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 102.47 31.03 5.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.534 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.749 HD12 ' HB2' ' A' ' 66' ' ' PRO . 12.1 mt -106.41 150.78 25.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.754 0.311 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.93 130.78 42.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -93.81 -33.86 13.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.1 m -68.53 -37.93 80.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.62 105.24 9.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -118.59 163.38 16.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -176.22 40.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 60.9 p-90 -72.4 -27.81 62.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -57.3 -30.79 65.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.049 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.57 109.89 22.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.811 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.482 HG13 ' HB3' ' A' ' 106' ' ' ALA . 21.6 t -116.55 143.04 27.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.128 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 146' ' ' ASP . . . . . 0.477 ' O ' HG22 ' A' ' 108' ' ' VAL . 2.5 m-20 -90.56 115.56 27.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.801 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -103.09 125.43 49.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.973 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.955 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 CA--C 1.529 0.135 0 CA-C-O 120.507 0.194 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -68.8 63.99 1.28 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.4 2.067 . . . . 0.0 112.302 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -119.0 -41.09 2.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.809 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 31.6 p-90 -116.65 115.75 26.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.3 175.6 6.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 28.7 mt -127.01 139.87 50.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.096 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.732 HD22 ' CZ ' ' A' ' 99' ' ' PHE . 5.5 tp -65.56 139.96 97.36 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 164' ' ' PRO . . . . . 0.45 ' HD2' HD12 ' A' ' 163' ' ' LEU . 40.5 Cg_endo -67.33 -167.75 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.454 2.103 . . . . 0.0 112.221 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -99.92 -29.19 12.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.994 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -71.28 -25.58 62.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -93.54 17.34 11.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.411 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.91 -31.01 31.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -72.0 77.6 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.947 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 10.1 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.079 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.471 ' CD2' HD13 ' A' ' 21' ' ' LEU . 4.2 m-85 -153.51 148.09 26.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.8 m -160.62 173.13 15.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.0 m120 60.6 39.76 17.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.608 HD13 HD11 ' A' ' 21' ' ' LEU . 1.6 mt -125.93 164.78 20.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -170.06 134.72 1.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.5 33.55 20.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -120.28 170.29 9.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.35 111.39 16.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.111 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.608 HD11 HD13 ' A' ' 16' ' ' LEU . 5.8 mt -106.3 171.74 7.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -151.24 126.46 9.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -115.8 141.39 48.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 ttt85 -116.71 168.61 10.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.14 -31.02 68.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.161 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.6 m -73.12 -34.06 65.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -72.45 -40.11 67.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.805 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.438 HD13 ' HG3' ' A' ' 49' ' ' PRO . 1.4 mt -84.94 -67.27 0.81 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 58.26 51.61 8.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.993 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.426 ' HA ' ' HA ' ' A' ' 49' ' ' PRO . 21.9 mt-30 60.08 69.2 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.93 153.83 44.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.837 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.94 138.79 58.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.514 ' HB ' HD12 ' A' ' 52' ' ' LEU . 21.5 t -112.66 116.43 52.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.0 tp -106.26 125.9 51.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.962 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.453 HD23 ' O ' ' A' ' 13' ' ' PHE . 13.1 mt -143.36 115.66 8.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 t -153.87 168.54 26.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.992 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 60.58 39.54 17.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.6 mp -111.7 168.22 9.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.55 112.83 1.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 60.72 31.46 20.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -97.38 127.72 43.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.02 133.84 37.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.6 t -139.93 142.27 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.173 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -133.08 105.07 6.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.701 HD12 ' HB2' ' A' ' 64' ' ' CYS . 10.5 mt -90.09 143.64 26.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -139.08 112.65 8.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 146.01 -152.78 24.84 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.471 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -133.42 65.34 71.96 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.776 0.322 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.438 ' HG3' HD13 ' A' ' 28' ' ' LEU . 50.9 Cg_exo -53.16 176.91 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.573 2.182 . . . . 0.0 112.334 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -86.61 -57.5 2.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -142.77 141.31 31.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.63 HD21 ' CD2' ' A' ' 62' ' ' LEU . 14.4 tp -107.59 129.65 54.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -128.25 135.45 49.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.4 tp -149.72 119.28 6.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.6 p -144.87 157.17 44.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.6 mttm 59.37 30.51 20.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.49 162.92 15.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -163.2 113.78 1.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.7 m 61.03 31.26 19.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 81.1 m -104.6 137.21 42.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -105.76 136.47 45.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.63 ' CD2' HD21 ' A' ' 52' ' ' LEU . 9.6 tp -139.81 128.1 22.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.493 HD23 ' HB3' ' A' ' 82' ' ' ALA . 1.2 mt -131.44 102.95 6.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.701 ' HB2' HD12 ' A' ' 45' ' ' LEU . 42.7 t -125.37 152.85 44.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.471 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -67.73 -179.87 15.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.484 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.529 ' HB2' HD12 ' A' ' 135' ' ' LEU . 12.4 Cg_endo -55.88 109.89 0.49 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.688 2.258 . . . . 0.0 112.199 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.483 HG22 ' N ' ' A' ' 68' ' ' SER . 12.0 p -57.5 158.6 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.256 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.483 ' N ' HG22 ' A' ' 67' ' ' VAL . 1.3 m -72.39 -51.43 20.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.925 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.6 p -104.1 -79.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.069 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.05 -179.99 7.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.976 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.485 HG12 ' N ' ' A' ' 72' ' ' PHE . 28.6 t -115.92 159.04 16.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.051 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.485 ' N ' HG12 ' A' ' 71' ' ' VAL . 81.9 m-85 -131.16 130.18 42.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.946 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.65 HD23 HG23 ' A' ' 90' ' ' ILE . 2.2 tp -131.5 140.48 49.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.831 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -165.51 137.55 4.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.97 40.0 12.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.411 ' O ' HG23 ' A' ' 93' ' ' THR . 70.7 m -111.2 140.66 45.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.6 p -151.72 136.87 17.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 59.59 33.71 22.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.572 ' HB2' HG23 ' A' ' 96' ' ' THR . 20.2 m -107.01 162.55 13.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.952 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -126.78 91.04 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.618 ' HB3' HG23 ' A' ' 98' ' ' ILE . 1.2 tp -92.58 149.3 21.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.493 ' HB3' HD23 ' A' ' 63' ' ' LEU . . . -156.13 104.47 2.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.028 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 65' ' ' GLY . 10.5 p -169.59 127.58 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.16 146.48 45.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.437 ' HB3' HG12 ' A' ' 67' ' ' VAL . 30.6 p -163.37 172.67 14.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.968 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.59 -42.13 17.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.948 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -133.02 158.53 42.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.868 HD22 HD11 ' A' ' 100' ' ' LEU . 44.0 tp -135.16 143.32 46.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.4 ttp85 -137.4 123.7 20.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.96 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.65 HG23 HD23 ' A' ' 73' ' ' LEU . 17.2 mt -128.23 154.72 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.064 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.419 ' N ' HG22 ' A' ' 90' ' ' ILE . 0.8 OUTLIER -158.69 130.85 6.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.003 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.7 m 58.91 38.02 24.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.03 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.661 ' O ' HD11 ' A' ' 114' ' ' ILE . 74.4 m -111.64 146.73 36.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.48 141.35 9.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 60.62 35.62 19.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.572 HG23 ' HB2' ' A' ' 79' ' ' CYS . 38.3 m -115.6 131.55 56.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -92.91 124.5 36.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.983 HG22 HD22 ' A' ' 100' ' ' LEU . 3.0 mp -130.94 115.72 31.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.047 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -105.92 96.93 6.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.983 HD22 HG22 ' A' ' 98' ' ' ILE . 2.5 pt? -140.07 166.97 23.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -123.73 90.66 3.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 31.0 m -71.09 135.87 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 64.8 p -104.61 -31.24 9.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.7 m -94.55 -77.14 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.934 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -163.66 171.96 14.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.422 ' HB3' HG13 ' A' ' 145' ' ' VAL . . . -129.58 139.76 51.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.067 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 31.0 mt -117.11 131.0 71.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.159 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.455 HG12 HD12 ' A' ' 90' ' ' ILE . 6.3 m -145.05 111.7 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -129.85 143.74 50.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 60.54 31.35 20.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 37.9 m -118.15 165.59 13.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -166.16 137.51 3.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.55 29.25 64.0 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.661 HD11 ' O ' ' A' ' 93' ' ' THR . 30.5 mm -80.48 156.8 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.801 0.334 . . . . 0.0 111.09 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.444 ' N ' HG22 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -117.16 120.71 39.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.41 ' HE1' HD23 ' A' ' 88' ' ' LEU . 7.7 m-85 -112.77 117.72 32.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -144.24 153.64 56.42 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.97 160.95 47.8 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.579 2.186 . . . . 0.0 112.315 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -74.61 134.79 42.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 9.9 m -143.9 104.04 4.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -164.79 65.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 23.0 m -65.36 127.16 30.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -132.8 158.29 76.16 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.17 -40.9 68.07 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.562 2.175 . . . . 0.0 112.217 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -124.27 69.44 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -107.66 -29.36 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.061 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -58.6 -28.23 65.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.16 -31.59 61.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -65.67 -44.04 87.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -68.04 -31.52 71.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -67.07 -34.39 77.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.972 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.2 m -59.98 -62.54 1.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 24.0 p -60.37 -43.01 96.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.33 28.4 8.57 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.471 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.529 HD12 ' HB2' ' A' ' 66' ' ' PRO . 11.0 mt -84.25 -179.06 7.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.776 0.322 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -118.25 137.47 53.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.931 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -93.98 -38.15 11.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 8.9 p -65.41 -40.86 93.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -77.9 128.14 33.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -139.04 150.28 45.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -158.93 37.18 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 -70.87 -31.63 68.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -63.09 -33.02 74.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -82.26 127.23 32.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.422 HG13 ' HB3' ' A' ' 106' ' ' ALA . 21.4 t -144.44 133.53 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.062 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -86.12 158.52 19.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.984 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -143.68 137.82 28.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.959 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 CA--C 1.529 0.147 0 CA-C-O 120.578 0.228 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.64 64.03 1.22 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.469 2.113 . . . . 0.0 112.307 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -134.24 -46.61 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 59.8 p-90 -126.26 144.8 50.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -133.97 155.86 49.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 30.6 mt -89.59 138.51 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.665 HD23 ' HG2' ' A' ' 168' ' ' ARG . 4.2 tp -75.25 133.07 75.27 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.79 177.54 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.378 2.052 . . . . 0.0 112.253 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -95.15 47.54 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -132.35 -45.68 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.956 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.432 ' O ' HD21 ' A' ' 163' ' ' LEU . 2.0 mm-40 -98.82 30.38 3.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.042 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 168' ' ' ARG . . . . . 0.665 ' HG2' HD23 ' A' ' 163' ' ' LEU . 8.4 mtt180 -86.33 -45.84 10.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -95.96 74.04 3.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 2.4 mp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.022 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.649 ' CG ' HD13 ' A' ' 21' ' ' LEU . 44.5 m-85 -129.98 143.6 50.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.751 0.31 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.8 p -162.68 173.12 14.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.4 m120 60.15 37.38 20.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.867 HD13 HD11 ' A' ' 21' ' ' LEU . 1.3 mt -123.21 141.64 51.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -139.55 124.14 18.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 t 60.52 32.82 20.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -110.04 171.41 7.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.8 121.68 60.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.12 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.867 HD11 HD13 ' A' ' 16' ' ' LEU . 11.7 mt -118.06 158.15 25.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.47 142.31 4.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.437 ' HZ2' ' HE2' ' A' ' 13' ' ' PHE . 13.6 mtmm -139.9 153.49 46.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -113.16 172.4 6.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.97 -31.15 69.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.056 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 m -66.29 -33.04 74.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -82.17 -54.1 5.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.787 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.2 mt -66.65 -62.66 1.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.005 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.0 t60 60.8 42.39 13.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.941 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 61.02 83.01 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -151.51 157.92 42.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -68.49 145.59 53.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -138.7 121.04 17.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.9 tp -107.93 129.33 55.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.961 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.628 ' HB2' HD12 ' A' ' 54' ' ' LEU . 1.7 mt -125.55 137.19 53.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.94 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 t -167.96 168.81 11.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 61.36 39.36 15.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.543 HD11 ' HB3' ' A' ' 35' ' ' LEU . 3.6 mt -109.94 159.62 17.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.6 t -160.47 113.69 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 60.13 30.03 19.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.018 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.2 t -97.71 146.21 25.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.13 128.85 56.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.522 ' HB ' HD12 ' A' ' 62' ' ' LEU . 21.5 t -133.69 130.34 56.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.12 100.01 4.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.3 mt -86.95 156.84 19.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -144.29 100.2 3.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 167.71 -119.4 0.84 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.552 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -168.17 84.93 0.73 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.735 0.303 . . . . 0.0 110.833 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.7 -179.92 3.7 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.524 2.15 . . . . 0.0 112.325 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.99 -62.83 1.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.57 HG23 ' OG1' ' A' ' 69' ' ' THR . 0.2 OUTLIER -140.4 106.92 5.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.652 HD21 HD21 ' A' ' 62' ' ' LEU . 59.4 tp -83.07 144.79 29.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -147.94 124.74 11.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.628 HD12 ' HB2' ' A' ' 35' ' ' LEU . 4.2 tp -128.01 121.89 30.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.8 p -144.49 158.72 43.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.998 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.5 mtmm 60.15 39.93 18.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -113.84 139.3 49.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.059 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -138.0 126.65 23.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.8 m 58.33 27.02 14.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.052 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 22.0 m -103.96 158.26 16.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -125.46 123.56 39.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.652 HD21 HD21 ' A' ' 52' ' ' LEU . 5.2 tp -122.14 132.24 54.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.498 HD23 ' HB3' ' A' ' 82' ' ' ALA . 2.8 mt -136.35 123.17 21.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.812 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 41.9 t -145.11 156.19 43.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.033 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.526 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -68.46 -179.91 19.58 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.53 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -62.27 109.92 0.94 Allowed 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.684 2.256 . . . . 0.0 112.164 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.538 HG12 ' HB3' ' A' ' 85' ' ' CYS . 11.8 p -62.67 158.49 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.116 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.485 ' N ' HG22 ' A' ' 67' ' ' VAL . 23.0 t -67.16 -53.55 29.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.956 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.57 ' OG1' HG23 ' A' ' 51' ' ' THR . 0.8 OUTLIER -97.08 -76.85 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.99 -179.93 3.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.94 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.97 HG21 HG11 ' A' ' 83' ' ' VAL . 21.5 t -122.94 159.11 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.488 ' N ' HG12 ' A' ' 71' ' ' VAL . 7.5 m-85 -125.38 157.92 35.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.831 HD13 HD22 ' A' ' 81' ' ' LEU . 2.9 tp -151.84 123.76 8.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.822 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -146.6 141.65 27.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.054 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.8 35.23 19.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.7 m -104.84 135.01 47.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.7 m -145.19 134.15 22.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 60.02 29.72 19.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.66 168.65 9.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -128.01 89.96 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.045 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.831 HD22 HD13 ' A' ' 73' ' ' LEU . 23.8 tp -87.44 139.56 30.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.498 ' HB3' HD23 ' A' ' 63' ' ' LEU . . . -153.19 103.5 2.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.04 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.97 HG11 HG21 ' A' ' 71' ' ' VAL . 12.9 p -166.57 116.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.94 139.51 58.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.042 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.538 ' HB3' HG12 ' A' ' 67' ' ' VAL . 6.0 p -163.71 177.52 8.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -90.92 -30.91 16.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.983 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -138.03 146.92 43.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.701 HD22 HD11 ' A' ' 100' ' ' LEU . 18.7 tp -140.0 117.37 11.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -105.54 116.2 31.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.698 HD11 ' CD2' ' A' ' 88' ' ' LEU . 6.9 mt -120.43 137.04 55.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.433 ' CD2' ' HB3' ' A' ' 109' ' ' GLU . 75.7 m80 -148.41 143.16 26.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.88 30.04 15.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.622 ' O ' HD11 ' A' ' 114' ' ' ILE . 56.0 m -104.01 141.4 36.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.29 140.74 17.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.3 t0 60.7 30.25 19.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.9 m -115.91 120.72 40.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.424 ' HB3' ' CE1' ' A' ' 99' ' ' PHE . 91.6 mtt180 -87.61 121.11 29.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.034 HG22 HD22 ' A' ' 100' ' ' LEU . 3.6 mp -116.03 112.6 40.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.076 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.605 ' CD2' ' HB3' ' A' ' 117' ' ' ALA . 16.4 m-85 -105.5 102.0 11.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 1.034 HD22 HG22 ' A' ' 98' ' ' ILE . 2.1 pt? -149.36 172.61 14.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.83 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -120.1 95.13 4.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.543 HG11 ' HB2' ' A' ' 106' ' ' ALA . 9.1 m -74.04 131.22 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 76.9 p -100.27 -31.33 11.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.938 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.53 -69.96 0.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -178.14 155.96 0.98 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.569 ' HB3' HG12 ' A' ' 145' ' ' VAL . . . -112.56 136.67 51.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 31.3 mt -105.21 139.16 27.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.129 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 16.8 m -144.74 147.88 18.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.433 ' HB3' ' CD2' ' A' ' 91' ' ' HIS . 1.8 tm-20 -168.52 141.05 2.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 61.34 29.89 18.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 84.5 m -106.81 173.98 6.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.974 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.5 m -169.98 118.84 0.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.09 38.97 17.32 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.529 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.622 HD11 ' O ' ' A' ' 93' ' ' THR . 25.8 mm -86.87 142.99 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.368 . . . . 0.0 111.078 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -114.54 122.47 46.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.604 ' O ' HG23 ' A' ' 162' ' ' ILE . 40.2 m-85 -112.99 109.17 18.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.605 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . . . -126.74 155.2 75.52 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.433 ' HG3' ' CE2' ' A' ' 142' ' ' TRP . 52.4 Cg_exo -54.71 161.49 5.97 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.634 2.222 . . . . 0.0 112.246 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -71.35 122.82 20.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 17.8 p -133.29 102.97 5.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.406 ' CE2' ' HB3' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -174.16 131.23 0.39 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 179.914 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.4 t 60.9 -173.63 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.455 ' O ' HG22 ' A' ' 126' ' ' ILE . 0.1 OUTLIER -179.71 -52.81 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.978 179.896 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.427 ' HD3' ' CB ' ' A' ' 123' ' ' TYR . 38.2 Cg_exo -60.33 -32.41 94.06 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.38 2.053 . . . . 0.0 112.285 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -133.35 52.37 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.455 HG22 ' O ' ' A' ' 123' ' ' TYR . 5.9 tp -109.92 -36.28 2.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -62.97 -30.4 71.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -67.11 -31.78 72.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -70.86 -50.0 40.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -60.8 -31.75 71.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -77.33 -37.25 52.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 74.2 m -63.36 -55.38 24.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.2 -42.01 97.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 102.09 28.6 6.44 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.568 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 8.6 mt -91.95 179.6 5.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.756 0.313 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.19 144.63 32.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 52.7 mtm180 -101.13 -38.61 8.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 67.4 m -86.93 -40.09 15.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.04 90.43 3.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -158.52 157.41 32.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.813 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ASN . . . . . 0.445 ' O ' HG23 ' A' ' 102' ' ' VAL . 1.1 t30 -149.73 100.91 3.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' TRP . . . . . 0.433 ' CE2' ' HG3' ' A' ' 118' ' ' PRO . 57.3 p-90 -100.51 30.54 3.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -135.03 31.71 3.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -163.82 105.94 0.94 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.569 HG12 ' HB3' ' A' ' 106' ' ' ALA . 28.6 m -125.08 169.42 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -102.39 115.69 31.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -92.6 147.91 22.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 17.7 m . . . . . 0 CA--C 1.528 0.104 0 CA-C-O 120.697 0.284 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -68.68 65.0 1.23 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.542 2.161 . . . . 0.0 112.281 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -135.88 -48.93 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.799 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 66.8 p-90 -117.49 134.06 55.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 7.3 m -112.99 179.97 3.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 162' ' ' ILE . . . . . 0.604 HG23 ' O ' ' A' ' 116' ' ' PHE . 32.9 mt -117.68 139.57 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.452 HD12 ' HD2' ' A' ' 164' ' ' PRO . 14.6 tp -68.52 137.63 90.97 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.824 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 164' ' ' PRO . . . . . 0.452 ' HD2' HD12 ' A' ' 163' ' ' LEU . 51.5 Cg_endo -69.1 -174.79 0.83 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.457 2.104 . . . . 0.0 112.25 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -102.07 31.61 3.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -113.18 -36.64 4.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -113.3 34.63 4.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -62.16 1.73 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -77.25 113.41 14.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.941 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -101.25 131.53 47.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.824 0.345 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.55 171.27 20.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 62.99 32.94 15.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.507 ' HB2' HD23 ' A' ' 38' ' ' LEU . 11.7 mt -123.45 172.82 8.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -169.86 135.39 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.5 p 58.53 34.39 23.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.988 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -110.31 171.5 7.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.29 103.09 10.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.042 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.9 mt -92.57 170.36 9.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -168.63 134.56 1.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -136.19 167.37 21.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.16 175.82 10.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.5 -41.41 89.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.189 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.6 t -62.01 -31.34 71.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -88.55 -37.98 15.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.947 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mt -86.08 -70.62 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 61.47 50.43 4.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 60.31 80.08 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.963 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -144.47 169.04 18.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -76.37 132.33 39.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -122.34 129.12 75.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 29.4 tp -131.79 133.76 45.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.658 ' HB2' HD12 ' A' ' 54' ' ' LEU . 3.1 mt -134.27 113.06 11.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.5 t -145.67 166.73 24.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 60.23 34.95 20.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.507 HD23 ' HB2' ' A' ' 16' ' ' LEU . 2.9 mt -119.87 150.99 39.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.974 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.3 125.04 12.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.863 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 60.79 31.07 20.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 24.3 t -110.18 117.86 34.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.495 HG23 ' HB2' ' A' ' 61' ' ' LYS . 4.1 m -87.51 145.58 26.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -135.49 135.86 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.129 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.8 mtp85 -128.86 109.81 11.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.62 HD12 ' HB3' ' A' ' 64' ' ' CYS . 3.1 mt -109.16 136.24 48.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -133.5 102.21 5.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 172.09 -109.46 0.31 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.534 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -176.2 66.19 0.23 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.869 0.366 . . . . 0.0 110.841 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.5 167.07 0.62 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.63 2.22 . . . . 0.0 112.299 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -77.78 -62.7 1.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -144.7 110.76 5.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.849 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.599 ' HB3' HG22 ' A' ' 71' ' ' VAL . 13.5 tp -72.6 153.54 41.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.0 ttm-85 -159.11 118.99 3.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.658 HD12 ' HB2' ' A' ' 35' ' ' LEU . 5.6 tp -126.33 125.09 41.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.751 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.8 p -148.0 154.37 40.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.977 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.7 mmtt 59.34 35.73 23.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.966 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.09 142.51 35.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.059 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -144.86 127.64 16.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.5 m 58.79 30.24 19.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.033 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.2 m -113.12 141.27 47.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.495 ' HB2' HG23 ' A' ' 42' ' ' THR . 19.3 mtmt -105.58 129.31 53.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.674 HD23 ' CD1' ' A' ' 81' ' ' LEU . 17.8 tp -120.01 128.03 53.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mt -138.69 120.68 15.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.811 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.62 ' HB3' HD12 ' A' ' 45' ' ' LEU . 28.0 p -155.01 163.27 40.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.427 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -69.48 -179.97 24.34 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.439 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.408 ' HG3' ' CD1' ' A' ' 130' ' ' PHE . 22.7 Cg_endo -61.23 126.33 19.12 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.621 2.214 . . . . 0.0 112.274 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.4 HG12 ' HB3' ' A' ' 85' ' ' CYS . 11.7 p -67.96 149.05 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.133 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 m -60.27 -52.88 63.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.1 -78.79 0.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.79 179.97 7.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.759 HG21 HG11 ' A' ' 83' ' ' VAL . 21.7 t -121.88 158.66 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.485 ' N ' HG12 ' A' ' 71' ' ' VAL . 63.4 m-85 -134.89 131.38 37.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.415 HD23 HG23 ' A' ' 90' ' ' ILE . 3.8 tp -122.38 140.3 52.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.803 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -164.12 136.16 4.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.978 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.27 40.05 9.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 53.4 m -113.74 135.93 53.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.8 p -146.99 136.54 22.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.792 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 60.03 37.07 21.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.75 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -114.82 156.77 24.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.78 89.96 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.023 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.674 ' CD1' HD23 ' A' ' 62' ' ' LEU . 21.4 tp -84.34 150.31 25.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.006 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -155.18 102.26 2.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.962 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.759 HG11 HG21 ' A' ' 71' ' ' VAL . 11.1 p -164.23 119.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.159 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.91 107.39 4.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.175 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.4 ' HB3' HG12 ' A' ' 67' ' ' VAL . 24.8 p -128.83 147.87 50.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -59.14 -44.62 92.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -131.03 146.86 52.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.641 ' CD2' HD11 ' A' ' 90' ' ' ILE . 10.3 tp -130.46 129.29 42.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.26 111.1 17.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.641 HD11 ' CD2' ' A' ' 88' ' ' LEU . 4.5 mt -110.2 155.13 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.036 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.432 ' N ' HG22 ' A' ' 90' ' ' ILE . 65.6 t60 -167.94 140.24 3.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.3 m 57.29 31.06 19.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 30.5 m -102.89 139.94 37.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.963 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 46.4 tttm -146.75 128.16 14.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.01 39.07 20.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.0 m -113.88 113.18 24.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 51.5 mtt85 -80.0 125.52 29.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.982 HG22 HD22 ' A' ' 100' ' ' LEU . 1.7 mp -123.49 112.57 33.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.18 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.57 ' CZ ' HD13 ' A' ' 163' ' ' LEU . 22.5 m-85 -105.77 92.04 4.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.982 HD22 HG22 ' A' ' 98' ' ' ILE . 2.5 pt? -134.6 175.77 9.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.992 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -126.94 89.93 3.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.793 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.77 HG23 ' O ' ' A' ' 141' ' ' ASN . 8.9 m -77.82 135.87 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 17.2 p -105.69 -31.58 8.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.01 -72.81 0.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -173.3 170.84 4.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -131.93 143.57 50.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.012 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 6.7 mt -119.54 149.65 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.445 ' O ' HG23 ' A' ' 108' ' ' VAL . 17.2 m -146.8 117.56 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.401 ' OE2' ' CD2' ' A' ' 148' ' ' PHE . 9.8 mt-10 -125.41 129.31 49.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.3 t70 61.12 31.53 19.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 21.9 m -104.31 166.49 10.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.97 143.03 2.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 61.61 34.33 88.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.543 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 28.6 mm -85.36 140.9 15.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 0.0 111.102 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.4 111.81 22.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -96.24 151.61 19.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -168.47 154.9 6.96 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.92 177.23 5.9 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.547 2.164 . . . . 0.0 112.266 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.413 ' CE2' ' HB3' ' A' ' 121' ' ' TRP . 9.6 t80 -80.0 103.64 10.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 7.2 t -96.76 41.23 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.413 ' HB3' ' CE2' ' A' ' 119' ' ' TYR . 0.0 OUTLIER -131.25 130.65 43.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.871 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.9 t -136.83 156.44 48.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -153.73 165.39 17.92 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.39 -28.31 53.05 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.552 2.168 . . . . 0.0 112.284 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -125.24 63.91 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 9.4 tp -95.48 -30.69 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -73.93 -21.42 60.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.176 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -75.15 -32.27 61.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.863 0.363 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -65.71 -44.9 84.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.408 ' CD1' ' HG3' ' A' ' 66' ' ' PRO . 5.9 m-85 -67.81 -31.16 70.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -74.05 -39.13 63.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.3 m -60.19 -45.37 93.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 58.8 p -81.54 -31.11 32.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 99.37 28.27 7.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.5 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 85.9 mt -94.66 156.86 16.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.828 0.347 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -100.5 157.03 16.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.35 -32.17 10.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.72 -46.77 88.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -60.42 122.55 14.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -142.37 85.89 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ASN . . . . . 0.77 ' O ' HG23 ' A' ' 102' ' ' VAL . 0.6 OUTLIER -113.55 84.33 2.0 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 38.3 p-90 -105.97 35.07 3.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -126.47 -43.04 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -56.62 108.76 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.113 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 9.5 p -143.32 146.34 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -105.43 121.29 43.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.05 125.04 44.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.401 ' CD2' ' OE2' ' A' ' 109' ' ' GLU . 34.5 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.619 0.247 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -68.75 63.54 1.26 Allowed 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.478 2.119 . . . . 0.0 112.343 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -135.84 -47.19 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 14.9 p-90 -120.86 144.59 48.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.796 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -138.27 155.28 48.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.99 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 7.1 mt -91.38 146.57 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.992 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.583 HD22 ' HG2' ' A' ' 168' ' ' ARG . 2.2 tt -75.08 133.86 75.01 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 164' ' ' PRO . . . . . 0.565 ' O ' HD23 ' A' ' 163' ' ' LEU . 72.7 Cg_endo -76.58 154.51 35.26 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.523 2.148 . . . . 0.0 112.363 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 19.9 mp0 -65.86 -30.17 70.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -67.04 -27.44 67.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.038 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.505 ' O ' HD21 ' A' ' 163' ' ' LEU . 40.4 mt-10 -104.77 28.74 6.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.145 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 168' ' ' ARG . . . . . 0.583 ' HG2' HD22 ' A' ' 163' ' ' LEU . 19.9 mtm180 -105.91 32.86 4.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.978 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -101.08 88.45 3.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 21.4 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.073 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.522 ' CD1' HD11 ' A' ' 16' ' ' LEU . 4.5 m-85 -139.28 115.06 10.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 0.0 110.847 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.4 m -143.11 169.43 17.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 61.29 31.32 19.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.522 HD11 ' CD1' ' A' ' 13' ' ' PHE . 23.5 mt -112.72 157.23 21.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -158.35 132.52 7.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.1 m 60.35 35.95 20.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -116.04 169.05 9.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.6 t -129.05 110.98 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.492 HD13 ' CD2' ' A' ' 13' ' ' PHE . 7.0 mt -108.9 142.76 39.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.35 134.28 29.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -126.69 161.19 28.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.684 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -123.7 172.98 8.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.27 -30.57 71.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.138 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.56 -31.75 63.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -74.06 -35.8 64.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.684 HD12 ' O ' ' A' ' 24' ' ' ARG . 1.1 mp -95.19 -70.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 60.61 50.04 6.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.97 89.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 -155.65 170.1 22.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -75.18 133.18 41.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.8 t -128.77 148.06 33.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.188 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.0 tp -142.19 132.59 25.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.521 ' HB2' HD12 ' A' ' 54' ' ' LEU . 1.4 mt -142.57 112.76 7.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.7 t -143.62 169.97 16.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 61.04 39.14 16.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 75.9 mt -107.64 145.54 33.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.1 m -145.58 114.72 7.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 61.62 30.99 18.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.1 t -101.77 134.3 45.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.4 m -102.86 127.72 49.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.59 ' HB ' HD12 ' A' ' 62' ' ' LEU . 21.4 t -132.74 141.21 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.5 mtt-85 -132.57 104.18 6.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.665 HD12 ' HB2' ' A' ' 64' ' ' CYS . 53.5 mt -90.57 125.69 35.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -121.92 109.35 14.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 155.07 -114.68 0.62 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.435 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -175.95 79.1 0.29 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.331 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.49 ' HG3' HD22 ' A' ' 28' ' ' LEU . 45.7 Cg_exo -56.26 -173.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.57 2.18 . . . . 0.0 112.331 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -105.41 -47.26 3.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.34 99.99 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.529 ' HB3' HG22 ' A' ' 71' ' ' VAL . 46.5 tp -77.19 140.68 40.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.14 111.16 5.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.815 HD13 HD22 ' A' ' 62' ' ' LEU . 5.9 tp -116.31 132.24 56.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.8 p -152.79 155.35 36.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.964 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.71 36.87 22.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.52 142.23 34.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -143.74 120.57 11.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.5 m 59.69 29.52 19.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.963 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 59.3 m -105.87 152.75 22.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -117.9 126.96 53.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.836 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.815 HD22 HD13 ' A' ' 54' ' ' LEU . 10.5 tp -125.29 113.31 17.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.8 mt -115.73 104.89 12.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.776 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.665 ' HB2' HD12 ' A' ' 45' ' ' LEU . 51.2 t -131.85 153.56 50.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.038 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.559 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -72.76 -179.83 36.5 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.458 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -56.9 109.78 0.5 Allowed 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.666 2.244 . . . . 0.0 112.086 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.474 HG22 ' N ' ' A' ' 68' ' ' SER . 11.5 p -57.38 158.14 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.186 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.474 ' N ' HG22 ' A' ' 67' ' ' VAL . 42.8 t -63.7 -54.21 39.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -104.78 -76.63 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.67 -179.98 7.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.947 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.529 HG22 ' HB3' ' A' ' 52' ' ' LEU . 21.3 t -124.67 158.66 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.479 ' N ' HG12 ' A' ' 71' ' ' VAL . 12.5 m-85 -132.75 139.89 47.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.463 HD13 HD22 ' A' ' 81' ' ' LEU . 6.9 tp -130.28 143.13 50.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -165.03 140.46 5.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 62.2 39.07 13.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 65.4 m -112.0 132.48 54.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.2 m -141.94 134.0 27.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.961 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 60.68 35.78 19.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.612 ' H ' HG23 ' A' ' 96' ' ' THR . 0.5 OUTLIER -109.67 175.42 5.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.6 t -143.6 89.99 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.123 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.463 HD22 HD13 ' A' ' 73' ' ' LEU . 54.2 tp -88.08 139.22 30.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -141.92 98.69 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 65' ' ' GLY . 11.8 p -165.98 130.62 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.71 144.54 50.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.066 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.48 ' O ' HG12 ' A' ' 102' ' ' VAL . 4.0 p -166.38 142.53 4.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -55.63 -52.29 64.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.83 141.6 51.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.454 HD21 HD11 ' A' ' 90' ' ' ILE . 11.3 tp -121.52 131.42 54.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -118.13 126.21 51.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.686 ' HB ' HG12 ' A' ' 108' ' ' VAL . 22.4 mt -127.19 155.08 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.086 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.432 ' CD2' ' HB2' ' A' ' 109' ' ' GLU . 2.9 t-80 -165.13 134.47 3.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.981 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.5 m 59.71 31.57 20.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.927 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.74 ' O ' HD11 ' A' ' 114' ' ' ILE . 28.2 m -105.68 141.21 37.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.58 139.28 13.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 59.74 31.47 20.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.612 HG23 ' H ' ' A' ' 79' ' ' CYS . 11.8 m -115.57 128.06 55.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 65.9 mtt-85 -83.35 148.47 27.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.859 HG22 HD22 ' A' ' 100' ' ' LEU . 15.4 mt -150.44 115.51 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.159 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -112.95 99.96 8.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.859 HD22 HG22 ' A' ' 98' ' ' ILE . 2.4 pt? -143.34 -179.97 6.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -134.86 99.87 4.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.767 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 141' ' ' ASN . 10.3 m -93.52 136.67 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.29 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 60.4 p -96.78 -33.42 11.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.86 -75.96 0.35 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.504 HH21 HD11 ' A' ' 107' ' ' ILE . 6.4 ptt-85 -177.84 171.17 1.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -125.33 145.18 50.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.971 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.504 HD11 HH21 ' A' ' 105' ' ' ARG . 26.0 mt -121.59 150.44 24.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.243 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.686 HG12 ' HB ' ' A' ' 90' ' ' ILE . 15.5 m -148.25 139.97 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.432 ' HB2' ' CD2' ' A' ' 91' ' ' HIS . 21.7 mt-10 -136.04 129.17 31.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.963 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.17 32.7 22.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 66.1 m -100.48 157.15 16.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 42.4 m -159.94 126.63 4.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.64 36.15 54.22 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.508 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.74 HD11 ' O ' ' A' ' 93' ' ' THR . 28.8 mm -81.95 158.75 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.853 0.359 . . . . 0.0 111.088 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.47 ' N ' HG22 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -118.24 132.67 56.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.607 ' O ' HG23 ' A' ' 162' ' ' ILE . 57.5 m-85 -130.79 100.17 5.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.8 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -127.48 155.1 77.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.406 ' HG3' ' CZ2' ' A' ' 142' ' ' TRP . 52.9 Cg_exo -52.43 175.14 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.568 2.179 . . . . 0.0 112.308 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -84.9 116.83 23.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 58.1 p -104.59 97.27 7.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -176.71 97.08 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.18 159.06 15.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.45 ' CG ' ' HD2' ' A' ' 124' ' ' PRO . 0.0 OUTLIER -179.84 148.9 0.5 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.45 ' HD2' ' CG ' ' A' ' 123' ' ' TYR . 30.4 Cg_endo -63.48 -27.16 70.22 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.529 2.153 . . . . 0.0 112.266 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -110.87 36.36 3.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.832 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.427 HG22 ' O ' ' A' ' 123' ' ' TYR . 3.9 tp -83.42 -35.21 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.81 -32.21 59.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -44.35 90.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.24 -41.82 99.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.415 ' CE2' ' HG3' ' A' ' 137' ' ' ARG . 2.6 m-85 -59.75 -32.41 70.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -71.88 -47.12 55.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.6 m -60.41 -31.39 70.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 5.9 p -76.14 -52.57 9.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 112.69 27.78 3.69 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.466 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 87.3 mt -111.17 161.77 15.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.814 0.34 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -118.01 154.15 32.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ARG . . . . . 0.415 ' HG3' ' CE2' ' A' ' 130' ' ' PHE . 14.1 mtp180 -117.36 29.73 7.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.7 t -121.62 25.73 9.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.055 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -120.31 -67.05 1.01 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.822 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 60.91 112.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.989 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ASN . . . . . 0.595 ' O ' HG23 ' A' ' 102' ' ' VAL . 3.7 m120 -146.17 54.1 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.837 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' TRP . . . . . 0.406 ' CZ2' ' HG3' ' A' ' 118' ' ' PRO . 36.9 p-90 -99.48 30.78 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.807 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -119.1 -41.19 2.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.71 129.1 34.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 15.5 m -142.79 176.94 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -125.28 112.87 16.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -72.6 164.32 26.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.956 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 CA--C 1.528 0.12 0 CA-C-O 120.676 0.274 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.61 -7.14 20.6 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.55 2.167 . . . . 0.0 112.729 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -52.89 -30.47 34.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.762 0.315 . . . . 0.0 111.097 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 30.3 p-90 -148.9 129.05 13.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.74 143.42 50.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 162' ' ' ILE . . . . . 0.607 HG23 ' O ' ' A' ' 116' ' ' PHE . 31.5 mt -92.04 138.23 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 4.9 tp -76.29 134.97 69.86 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.2 177.11 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.465 2.11 . . . . 0.0 112.213 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -98.44 28.71 3.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -115.92 -35.65 4.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -97.49 35.51 1.63 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -89.39 -31.15 17.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -70.04 97.25 1.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 4.1 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.052 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.392 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -102.73 115.6 30.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.3 p -142.27 174.55 10.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 60.53 31.1 20.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.935 HD13 HD11 ' A' ' 21' ' ' LEU . 1.3 mt -113.48 149.47 34.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.2 mp0 -154.26 129.49 9.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.2 m 60.8 38.17 18.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.618 ' OE1' HD23 ' A' ' 16' ' ' LEU . 2.3 mt-30 -119.96 171.44 8.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.6 t -122.1 103.77 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.085 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.935 HD11 HD13 ' A' ' 16' ' ' LEU . 23.1 mt -101.83 142.39 33.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -141.85 147.99 38.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -133.96 176.63 8.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.979 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.23 159.82 42.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.53 ' HB2' ' CA ' ' A' ' 47' ' ' GLY . . . -62.72 -35.32 79.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.7 t -60.33 -33.2 72.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.94 -44.7 10.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.9 mt -67.6 -60.7 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 60.44 45.21 11.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 61.27 80.74 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.2 mtt85 -149.77 158.51 44.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -63.17 148.99 46.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.06 128.32 71.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 tp -116.51 122.66 45.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.421 HD13 HD11 ' A' ' 62' ' ' LEU . 5.4 mt -138.84 111.77 7.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.7 t -150.18 173.86 13.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 60.3 37.48 20.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.955 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.416 HD22 ' HB2' ' A' ' 16' ' ' LEU . 38.1 mt -110.69 149.01 31.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 m -149.53 119.22 7.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 59.45 29.65 19.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.004 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 51.3 t -109.1 149.51 29.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 p -109.91 141.06 43.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.608 ' HB ' HD12 ' A' ' 62' ' ' LEU . 22.0 t -143.37 136.7 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.696 ' HG2' HD12 ' A' ' 63' ' ' LEU . 1.4 mpt_? -138.98 103.72 4.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.2 mt -87.9 140.02 29.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -124.6 135.39 53.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.53 ' CA ' ' HB2' ' A' ' 25' ' ' ALA . . . 129.23 -112.8 1.41 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.457 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -176.5 85.87 0.27 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 120.747 0.308 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.56 171.57 15.08 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.573 2.182 . . . . 0.0 112.308 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -88.01 -48.75 7.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.6 117.71 8.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.683 HD21 ' CD2' ' A' ' 62' ' ' LEU . 32.5 tp -95.17 123.78 38.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.788 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -125.73 126.52 44.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.442 HD22 ' CD1' ' A' ' 81' ' ' LEU . 4.1 tp -132.07 120.99 23.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.821 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.5 p -146.52 157.3 43.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.944 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt 60.25 37.94 20.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.79 140.61 36.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.057 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -141.61 119.69 12.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.6 m 59.32 27.19 16.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.078 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 13.8 m -106.88 159.09 16.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -124.08 149.98 45.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.817 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.683 ' CD2' HD21 ' A' ' 52' ' ' LEU . 4.4 tp -141.72 127.71 19.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.696 HD12 ' HG2' ' A' ' 44' ' ' ARG . 9.5 mt -131.52 99.99 5.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.737 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 53.0 t -124.37 156.26 37.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.07 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.598 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -72.31 -179.73 34.68 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.448 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.405 ' HG3' ' CE1' ' A' ' 130' ' ' PHE . 12.2 Cg_endo -55.76 111.75 0.86 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.643 2.229 . . . . 0.0 112.19 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.484 HG22 ' N ' ' A' ' 68' ' ' SER . 12.1 p -61.69 158.72 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.113 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.484 ' N ' HG22 ' A' ' 67' ' ' VAL . 2.7 t -70.39 -51.89 26.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.32 -76.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.27 178.52 7.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.558 HG21 ' CG1' ' A' ' 83' ' ' VAL . 21.8 t -120.48 141.29 41.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.008 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -117.45 123.85 47.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.978 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.522 HD21 ' HB2' ' A' ' 76' ' ' CYS . 0.7 OUTLIER -122.43 133.81 54.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -155.58 142.76 19.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 61.02 39.8 15.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.946 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.522 ' HB2' HD21 ' A' ' 73' ' ' LEU . 49.4 m -112.02 135.03 53.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.57 138.1 28.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.974 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 59.28 29.27 18.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.582 ' HB2' HG23 ' A' ' 96' ' ' THR . 69.7 m -106.32 157.38 17.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.4 t -125.05 89.94 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.964 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.442 ' CD1' HD22 ' A' ' 54' ' ' LEU . 2.6 tp -83.84 150.18 25.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -152.61 99.1 2.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.093 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 65' ' ' GLY . 11.0 p -169.14 128.96 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.96 141.63 40.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.5 p -153.82 167.15 30.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.15 -31.87 38.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -150.31 130.79 13.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.43 HD23 HD11 ' A' ' 90' ' ' ILE . 34.2 tp -103.54 144.04 31.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.947 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -128.56 104.92 7.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.723 ' HB ' HG12 ' A' ' 108' ' ' VAL . 9.6 mt -109.33 147.64 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.064 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -160.32 130.96 5.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.975 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 m 59.77 31.68 20.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.5 m -101.67 149.09 24.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.25 131.76 5.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 59.2 35.78 23.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.582 HG23 ' HB2' ' A' ' 79' ' ' CYS . 60.4 m -113.36 111.87 22.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -69.91 121.2 16.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.965 HG22 HD22 ' A' ' 100' ' ' LEU . 22.9 mt -125.5 104.3 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -98.51 108.15 20.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.965 HD22 HG22 ' A' ' 98' ' ' ILE . 2.2 pt? -151.97 179.97 8.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.977 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -138.48 90.06 2.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.807 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 16.6 m -80.52 144.31 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 75.6 p -107.68 -29.46 9.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.7 m -93.9 -76.75 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.1 mtt85 -166.33 172.7 10.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.963 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.663 ' HB3' HG12 ' A' ' 145' ' ' VAL . . . -134.69 113.25 11.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.039 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.523 HG23 ' CE1' ' A' ' 148' ' ' PHE . 2.7 mp -81.88 139.04 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.723 HG12 ' HB ' ' A' ' 90' ' ' ILE . 7.0 m -145.33 122.0 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.086 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -125.64 131.99 52.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.85 31.41 21.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 62.5 m -96.16 148.94 22.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.24 134.37 11.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.923 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.41 36.03 92.69 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.559 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 28.1 mm -78.24 138.99 19.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.847 0.356 . . . . 0.0 111.05 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.445 ' NE2' HD13 ' A' ' 163' ' ' LEU . 0.0 OUTLIER -99.84 100.38 11.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.837 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -96.9 133.08 42.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.472 ' HB1' ' HD2' ' A' ' 118' ' ' PRO . . . -156.97 158.45 31.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.472 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 53.9 Cg_endo -69.48 150.79 70.34 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.503 2.135 . . . . 0.0 112.338 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -60.24 148.12 37.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 29.7 m -143.11 91.48 2.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -175.26 98.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.4 m -104.42 146.81 28.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.958 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.44 ' CG ' ' HD2' ' A' ' 124' ' ' PRO . 0.2 OUTLIER -132.5 161.06 65.52 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.757 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' A' ' 123' ' ' TYR . 41.5 Cg_endo -67.59 -26.93 39.4 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.589 2.193 . . . . 0.0 112.211 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -127.29 39.65 3.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.784 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.448 HD11 ' HE1' ' A' ' 130' ' ' PHE . 2.5 tt -83.13 -26.93 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.196 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.56 -30.42 60.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.09 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -78.58 -31.07 47.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.794 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.66 -49.85 67.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.448 ' HE1' HD11 ' A' ' 126' ' ' ILE . 7.0 m-85 -62.77 -32.48 73.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -70.11 -46.03 65.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.2 m -65.64 -35.84 81.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.2 p -76.95 -31.92 56.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.86 28.45 38.06 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.521 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 12.5 mt -79.23 -178.72 6.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.78 0.324 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.65 147.66 43.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -132.56 46.46 2.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.755 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 7.6 t -152.61 -44.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.03 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -50.9 -75.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.168 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 59.79 109.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -151.9 34.79 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 59.5 p-90 -59.09 -28.66 66.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.032 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -60.06 -32.61 71.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.938 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.94 126.2 33.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.663 HG12 ' HB3' ' A' ' 106' ' ' ALA . 7.2 m -143.93 144.44 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -92.62 119.37 31.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -98.76 120.99 40.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.523 ' CE1' HG23 ' A' ' 107' ' ' ILE . 38.6 m-85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 31.4 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.605 0.241 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -68.67 63.64 1.23 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.517 2.145 . . . . 0.0 112.283 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -100.22 -59.54 1.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 47.5 p-90 -99.52 173.73 6.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.788 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.62 158.81 43.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.949 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 23.0 mt -103.86 152.52 6.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.07 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.682 HD21 ' O ' ' A' ' 167' ' ' GLU . 27.3 tp -87.03 115.59 63.12 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.11 -175.3 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.371 2.047 . . . . 0.0 112.339 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.49 63.04 2.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.813 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -153.37 -44.58 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.682 ' O ' HD21 ' A' ' 163' ' ' LEU . 4.8 mt-10 -98.0 31.03 2.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 168' ' ' ARG . . . . . 0.67 ' O ' HD12 ' A' ' 170' ' ' ILE . 4.9 mtm180 -88.83 -28.61 20.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.939 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -80.18 107.2 12.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 170' ' ' ILE . . . . . 0.67 HD12 ' O ' ' A' ' 168' ' ' ARG . 3.1 mp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -117.38 150.24 39.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.799 0.333 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 72.1 p -169.44 167.83 9.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.0 m120 60.76 34.12 19.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.505 HD22 ' OE1' ' A' ' 19' ' ' GLN . 25.5 mt -116.33 141.5 48.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -142.01 133.6 26.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.7 m 59.83 31.54 20.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.505 ' OE1' HD22 ' A' ' 16' ' ' LEU . 11.9 mt-30 -108.83 172.16 7.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.05 109.57 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.649 HD12 HG22 ' A' ' 43' ' ' VAL . 16.5 mt -99.58 142.56 30.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -139.49 137.01 35.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.601 ' HD2' HD21 ' A' ' 28' ' ' LEU . 9.6 mttm -140.98 150.68 43.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -121.95 179.98 4.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.62 -35.5 72.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.57 -34.74 67.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.32 -30.71 54.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.601 HD21 ' HD2' ' A' ' 23' ' ' LYS . 61.7 mt -84.0 -59.81 2.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 64.87 31.76 11.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.734 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 62.0 77.62 0.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.948 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.42 177.28 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.93 137.4 36.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.959 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -120.66 106.43 18.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.082 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.0 tp -93.34 124.92 37.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.456 ' HB3' HD11 ' A' ' 38' ' ' LEU . 25.4 mt -136.95 107.68 6.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.0 t -148.35 168.14 23.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.963 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 60.0 39.38 20.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.456 HD11 ' HB3' ' A' ' 35' ' ' LEU . 1.0 OUTLIER -111.04 173.53 6.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.2 m -170.0 113.8 0.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 63.21 35.77 12.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.5 t -109.5 120.17 41.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.29 141.48 30.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.649 HG22 HD12 ' A' ' 21' ' ' LEU . 21.6 t -140.1 126.63 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -128.16 99.94 5.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.483 HD12 ' HB2' ' A' ' 64' ' ' CYS . 11.5 mt -93.61 155.29 17.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -139.75 112.65 8.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 143.82 -132.67 5.01 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.536 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -152.2 86.32 4.46 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 120.7 0.286 . . . . 0.0 110.846 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.02 156.75 61.92 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.577 2.185 . . . . 0.0 112.261 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.81 -67.84 0.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.9 m -136.9 120.45 17.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.787 HD11 HD21 ' A' ' 62' ' ' LEU . 23.4 tp -91.5 130.87 37.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.0 131.16 36.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.498 HD23 HD11 ' A' ' 73' ' ' LEU . 6.8 tp -143.32 113.94 7.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.6 p -137.96 155.41 48.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.27 31.49 19.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.975 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.89 148.75 22.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -142.07 118.17 10.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 75.4 m 59.62 28.45 17.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.975 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 36.1 m -103.04 137.46 41.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -103.8 156.12 18.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.787 HD21 HD11 ' A' ' 52' ' ' LEU . 24.5 tp -154.64 119.01 4.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.944 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.521 HD23 ' HB3' ' A' ' 82' ' ' ALA . 98.2 mt -126.83 99.98 5.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.483 ' HB2' HD12 ' A' ' 45' ' ' LEU . 53.8 t -131.62 156.24 46.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.951 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.9 -179.86 7.6 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.54 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.714 ' HB2' HD12 ' A' ' 135' ' ' LEU . 18.9 Cg_endo -58.1 122.35 11.56 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.641 2.228 . . . . 0.0 112.297 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.488 HG22 ' N ' ' A' ' 68' ' ' SER . 13.5 p -64.78 159.07 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.488 ' N ' HG22 ' A' ' 67' ' ' VAL . 3.5 m -74.04 -51.93 14.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.1 p -100.16 -79.1 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.002 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.2 m -163.89 -179.93 6.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.516 HG22 ' HB3' ' A' ' 52' ' ' LEU . 15.1 t -130.67 142.05 44.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -116.94 164.04 15.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.498 HD11 HD23 ' A' ' 54' ' ' LEU . 2.6 tp -152.02 138.4 18.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.769 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -155.99 135.12 12.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.077 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.25 39.97 18.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.994 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.428 ' HB3' HG21 ' A' ' 96' ' ' THR . 3.8 m -108.65 135.83 49.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.7 t -148.51 137.44 21.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 58.72 29.04 18.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.992 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.407 ' HB2' HG23 ' A' ' 96' ' ' THR . 31.7 m -106.72 150.44 26.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.39 90.07 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.074 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.412 HD13 HD13 ' A' ' 73' ' ' LEU . 4.3 tt -100.96 123.97 45.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.587 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -130.17 110.07 11.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.647 HG11 HD22 ' A' ' 52' ' ' LEU . 3.7 m -160.48 128.93 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.413 ' HB3' ' HB3' ' A' ' 66' ' ' PRO . . . -74.71 133.18 42.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.43 ' HB3' HG12 ' A' ' 67' ' ' VAL . 31.7 p -153.3 165.43 35.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -81.12 -36.43 30.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -133.26 150.51 51.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.833 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.848 HD13 HD13 ' A' ' 100' ' ' LEU . 15.8 tp -125.59 148.65 48.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -140.43 119.19 12.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.613 ' HB ' HG12 ' A' ' 108' ' ' VAL . 27.3 mt -125.76 156.27 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.442 ' N ' HG22 ' A' ' 90' ' ' ILE . 0.8 OUTLIER -166.21 135.52 3.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.4 m 55.21 28.54 11.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.192 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.435 HG23 ' OG1' ' A' ' 96' ' ' THR . 90.2 m -97.14 138.15 35.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.781 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -147.26 128.75 14.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.953 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.06 40.07 22.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.968 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.435 ' OG1' HG23 ' A' ' 93' ' ' THR . 3.3 m -112.15 102.21 10.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.956 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -66.06 127.23 31.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.807 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.814 HG22 HD22 ' A' ' 100' ' ' LEU . 6.5 mt -129.05 124.84 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.154 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.504 ' CG ' ' HB3' ' A' ' 117' ' ' ALA . 12.5 m-85 -113.65 89.95 3.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.71 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.848 HD13 HD13 ' A' ' 88' ' ' LEU . 2.6 pt? -131.1 178.9 6.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.075 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.81 89.98 2.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.723 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.462 HG11 ' HB2' ' A' ' 106' ' ' ALA . 15.1 m -74.0 136.12 26.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.174 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 52.8 p -95.35 -31.4 13.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.86 -78.52 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.1 -179.98 8.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.462 ' HB2' HG11 ' A' ' 102' ' ' VAL . . . -141.27 144.91 34.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.999 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.423 ' O ' HG13 ' A' ' 108' ' ' VAL . 23.4 mt -110.88 145.44 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.203 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.613 HG12 ' HB ' ' A' ' 90' ' ' ILE . 4.8 m -155.91 126.97 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -141.01 143.61 34.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 59.9 30.7 20.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 19.6 m -108.47 160.52 15.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.76 124.53 3.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.94 30.64 42.16 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.528 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 26.6 mm -81.97 133.24 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.792 0.329 . . . . 0.0 111.192 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -109.29 116.35 31.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -99.0 107.44 19.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.504 ' HB3' ' CG ' ' A' ' 99' ' ' PHE . . . -110.21 152.11 42.98 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.135 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.72 152.54 58.91 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.655 2.237 . . . . 0.0 112.344 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -94.96 99.97 11.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.803 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 4.3 p -114.94 30.83 7.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.981 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.494 ' CZ2' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -79.43 81.85 5.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.765 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 39.2 m -82.3 162.24 22.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.449 ' CD2' ' HD2' ' A' ' 124' ' ' PRO . 0.2 OUTLIER -151.74 148.73 22.36 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.777 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.449 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 77.0 Cg_exo -50.12 -27.8 18.01 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.55 2.166 . . . . 0.0 112.31 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -135.34 62.25 1.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.686 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -103.88 -21.68 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.36 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -52.98 -30.82 37.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.057 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -77.3 -31.07 54.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.827 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.74 -55.61 21.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -64.81 -41.13 96.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -60.11 -42.4 94.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 73.2 m -60.91 -50.94 71.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 91.9 p -69.05 -40.39 78.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 94.96 30.9 8.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.504 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.714 HD12 ' HB2' ' A' ' 66' ' ' PRO . 30.1 mt -98.99 175.04 6.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -115.16 150.72 35.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.8 -35.47 9.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 9.3 t -69.07 -52.32 29.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 15.5 mmtt -59.81 124.44 20.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.807 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -142.02 139.03 32.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.982 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -135.23 25.71 3.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.0 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 13.6 p-90 -63.85 -29.91 71.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.959 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -62.06 -50.7 70.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -82.68 138.75 34.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 21.5 t -146.41 132.3 13.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.118 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -77.48 138.34 39.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -125.35 169.38 12.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.947 -179.938 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 75.7 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.697 0.284 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.71 62.5 2.3 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.534 2.156 . . . . 0.0 112.327 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -112.49 -43.42 3.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.818 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 57.8 p-90 -109.42 173.48 6.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.73 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -151.01 164.69 35.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 23.8 mt -107.06 125.47 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.031 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.422 HD23 ' CG ' ' A' ' 168' ' ' ARG . 6.6 tp -60.41 135.51 91.57 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.15 -169.81 0.43 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.503 2.135 . . . . 0.0 112.261 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -91.46 -31.62 15.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -65.97 -30.65 71.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -90.38 -28.13 18.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.013 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 168' ' ' ARG . . . . . 0.422 ' CG ' HD23 ' A' ' 163' ' ' LEU . 0.6 OUTLIER -56.96 -30.77 64.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.959 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -71.23 87.25 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 5.9 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.053 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -143.74 142.77 31.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.886 0.374 . . . . 0.0 110.821 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.6 p -166.19 170.28 13.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.5 m120 61.73 33.04 18.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.71 HD13 HD21 ' A' ' 21' ' ' LEU . 13.4 mt -114.13 156.82 23.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -153.6 137.97 16.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.06 36.78 21.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -130.17 170.83 13.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.57 120.19 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.71 HD21 HD13 ' A' ' 16' ' ' LEU . 10.8 mt -100.61 151.08 22.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -144.25 149.4 36.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.472 ' HB2' HD22 ' A' ' 45' ' ' LEU . 12.5 mttp -154.29 161.7 41.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -135.68 176.49 8.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.07 -31.0 71.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.143 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -68.79 -33.68 74.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -85.74 -39.37 17.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.542 HD13 ' HG3' ' A' ' 49' ' ' PRO . 25.5 mt -74.61 -66.18 0.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.956 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 60.57 42.67 13.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 61.85 74.66 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.93 176.99 8.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -92.77 122.27 35.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.691 ' HB ' HD12 ' A' ' 52' ' ' LEU . 21.6 t -93.71 119.01 40.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.8 tp -116.88 104.66 11.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.406 HD12 HD11 ' A' ' 62' ' ' LEU . 55.7 mt -122.38 110.42 15.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.2 t -141.45 169.29 17.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 60.31 39.71 18.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.43 HD23 ' HB2' ' A' ' 16' ' ' LEU . 1.3 mt -118.35 149.19 41.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 m -146.81 121.41 9.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.836 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 60.64 34.46 20.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.7 t -112.95 118.1 33.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.9 m -75.81 140.34 42.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.733 ' HB ' HD12 ' A' ' 62' ' ' LEU . 21.5 t -131.59 122.47 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -127.11 99.99 5.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.472 HD22 ' HB2' ' A' ' 23' ' ' LYS . 46.8 mt -99.09 162.79 12.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -145.64 140.14 27.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.82 -138.54 11.84 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -147.33 79.15 9.87 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.683 0.278 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.542 ' HG3' HD13 ' A' ' 28' ' ' LEU . 50.1 Cg_exo -53.66 -179.66 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.59 2.194 . . . . 0.0 112.294 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -100.67 -46.54 5.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -155.31 99.96 2.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.691 HD12 ' HB ' ' A' ' 33' ' ' VAL . 13.2 tp -71.66 144.12 49.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -148.46 134.97 19.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.58 HD22 ' CD1' ' A' ' 81' ' ' LEU . 4.3 tp -142.06 123.02 14.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.0 p -145.85 158.57 43.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm 59.77 30.85 20.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.86 161.39 13.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.057 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -165.68 121.79 1.35 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.6 m 60.27 31.36 20.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.988 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 34.1 m -111.4 149.36 31.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -113.3 124.28 52.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.733 HD12 ' HB ' ' A' ' 43' ' ' VAL . 6.8 tp -114.3 126.56 55.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.539 HD23 ' HB3' ' A' ' 82' ' ' ALA . 2.4 mt -134.95 103.64 5.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 52.7 t -134.9 156.26 49.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.006 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.401 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -65.57 -179.84 9.02 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.414 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -60.69 121.73 10.17 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.607 2.205 . . . . 0.0 112.237 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.633 HG12 ' HB3' ' A' ' 85' ' ' CYS . 11.2 p -70.54 158.56 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.487 ' N ' HG22 ' A' ' 67' ' ' VAL . 0.9 OUTLIER -63.28 -54.73 32.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 p -106.57 -75.25 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.2 m -161.97 -179.97 7.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.88 HG21 HG11 ' A' ' 83' ' ' VAL . 21.7 t -115.68 157.45 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.464 ' N ' HG12 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -120.35 139.53 52.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.602 HD23 HG23 ' A' ' 90' ' ' ILE . 2.8 tp -138.68 123.97 19.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -149.28 138.67 21.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 61.9 37.37 15.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 28.8 m -106.52 140.3 39.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.0 t -152.59 134.67 14.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.973 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 60.49 38.12 19.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 42.1 m -116.5 167.47 11.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 20.3 t -132.66 90.72 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.054 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.58 ' CD1' HD22 ' A' ' 54' ' ' LEU . 1.0 OUTLIER -86.58 123.89 32.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.913 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.539 ' HB3' HD23 ' A' ' 63' ' ' LEU . . . -127.13 98.38 5.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.88 HG11 HG21 ' A' ' 71' ' ' VAL . 11.7 p -157.86 124.64 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.95 147.18 43.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.633 ' HB3' HG12 ' A' ' 67' ' ' VAL . 23.0 p -169.38 -179.94 3.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.476 ' HG3' HD21 ' A' ' 135' ' ' LEU . 36.1 mt-30 -94.81 -31.7 13.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.15 161.63 36.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.826 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.536 HD22 HD11 ' A' ' 100' ' ' LEU . 20.7 tp -143.01 151.0 40.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.41 ' HD2' ' CE1' ' A' ' 72' ' ' PHE . 3.5 mtt180 -140.59 122.8 15.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.602 HG23 HD23 ' A' ' 73' ' ' LEU . 4.7 mt -127.57 158.31 39.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.03 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.488 ' N ' HG22 ' A' ' 90' ' ' ILE . 58.9 t-80 -168.61 138.92 2.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 59.32 30.41 20.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.557 ' O ' HD11 ' A' ' 114' ' ' ILE . 49.0 m -104.95 135.11 46.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.4 ttpp -143.12 131.21 21.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.2 t0 59.84 39.4 20.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 23.2 m -111.05 142.05 43.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.5 mtm-85 -99.91 136.64 39.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.026 HG22 HD22 ' A' ' 100' ' ' LEU . 19.9 mt -137.94 108.95 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.066 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -106.87 95.8 5.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.935 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 1.026 HD22 HG22 ' A' ' 98' ' ' ILE . 2.3 pt? -141.43 170.78 15.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -123.34 90.0 3.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.849 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 8.7 m -76.83 120.78 27.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.178 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 28.3 p -77.57 -31.24 52.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.2 m -101.7 -75.25 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.2 165.38 2.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -110.0 179.26 4.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 23.9 mt -148.64 139.15 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.4 m -137.7 146.52 27.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -149.18 129.27 13.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.44 33.13 20.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 70.9 m -102.35 170.13 8.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -170.0 122.29 0.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.65 32.93 39.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.518 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.557 HD11 ' O ' ' A' ' 93' ' ' THR . 27.0 mm -79.84 153.71 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.819 0.342 . . . . 0.0 111.072 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.438 ' CD ' HD12 ' A' ' 163' ' ' LEU . 3.3 mm100 -120.84 115.08 22.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -102.71 123.79 47.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.471 ' HB1' ' HD2' ' A' ' 118' ' ' PRO . . . -142.08 158.61 61.3 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.031 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.471 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 55.6 Cg_endo -70.09 164.19 35.78 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.616 2.211 . . . . 0.0 112.295 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -68.16 147.73 51.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 21.9 p -148.48 90.93 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -175.66 117.81 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.403 ' O ' ' CG ' ' A' ' 123' ' ' TYR . 3.7 m -130.86 177.29 7.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.022 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.403 ' CG ' ' O ' ' A' ' 122' ' ' SER . 3.6 m-85 -170.92 165.33 4.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.811 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -47.5 -45.82 22.07 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.676 2.25 . . . . 0.0 112.451 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -118.55 72.84 0.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.855 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 8.5 tp -93.1 -29.54 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.146 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.07 -40.46 85.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -31.96 69.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.59 -65.52 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.434 ' CD2' ' HD2' ' A' ' 137' ' ' ARG . 76.5 m-85 -59.21 -33.03 70.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -71.37 -34.95 70.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.3 m -69.15 -31.4 70.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 45.5 p -84.63 -45.38 12.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 108.49 31.71 3.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.476 HD21 ' HG3' ' A' ' 86' ' ' GLN . 5.7 mt -100.21 170.61 8.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 0.0 110.918 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.92 146.52 46.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ARG . . . . . 0.434 ' HD2' ' CD2' ' A' ' 130' ' ' PHE . 9.0 mtp180 -115.15 31.35 6.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 14.0 m -127.09 19.59 7.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -146.8 101.05 3.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.25 142.36 32.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.985 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -155.37 39.58 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' TRP . . . . . 0.475 ' CZ3' HG23 ' A' ' 162' ' ' ILE . 33.9 p-90 -66.85 -32.49 73.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -63.89 -47.02 82.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.26 119.61 8.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.957 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 6.2 m -152.24 148.22 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -97.78 169.94 9.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -137.64 163.39 31.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.963 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.53 0.206 0 CA-C-O 120.529 0.204 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.41 -15.79 47.56 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.483 2.122 . . . . 0.0 112.504 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -50.06 -45.4 52.36 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.264 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -124.45 169.54 11.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.049 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 1.6 p -145.88 179.97 7.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 162' ' ' ILE . . . . . 0.475 HG23 ' CZ3' ' A' ' 142' ' ' TRP . 24.3 mt -113.41 138.29 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.438 HD12 ' CD ' ' A' ' 115' ' ' GLN . 3.4 tp -68.03 128.56 93.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.25 171.43 0.39 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.461 2.108 . . . . 0.0 112.249 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -101.52 28.03 5.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -119.74 -37.81 3.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -96.39 37.89 1.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.974 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.38 -38.12 16.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -90.02 88.52 7.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.807 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 2.6 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.266 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -132.52 148.25 52.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.818 0.342 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.3 m -164.5 169.89 16.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 29.4 m120 60.75 39.9 16.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.457 HD22 ' OE1' ' A' ' 19' ' ' GLN . 69.1 mt -125.09 151.77 45.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -149.1 127.23 12.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.71 34.13 20.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.457 ' OE1' HD22 ' A' ' 16' ' ' LEU . 1.8 mt-30 -108.2 174.91 5.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.3 t -127.07 126.19 67.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.052 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.703 HD12 HG22 ' A' ' 43' ' ' VAL . 13.5 mt -120.21 142.93 48.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -142.71 140.85 31.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -141.22 146.72 37.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.641 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -115.25 178.79 4.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.77 -31.37 72.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.3 -34.26 67.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -76.76 -46.49 24.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.702 HD23 ' HD2' ' A' ' 31' ' ' ARG . 1.1 mt -72.15 -73.76 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.2 t60 61.29 51.72 4.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.416 ' HA ' ' HA ' ' A' ' 49' ' ' PRO . 42.3 mt-30 59.63 74.12 0.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.979 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.702 ' HD2' HD23 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -132.52 167.23 20.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.884 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.58 103.12 15.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.851 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.599 HG22 HH11 ' A' ' 31' ' ' ARG . 16.9 t -76.94 120.25 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.2 tp -111.91 134.44 53.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.543 ' HB2' HD12 ' A' ' 54' ' ' LEU . 14.0 mt -141.67 113.97 8.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.1 t -145.97 162.57 37.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 60.04 33.21 21.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.455 HD12 ' HB3' ' A' ' 35' ' ' LEU . 40.5 mt -110.77 141.52 43.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.3 m -150.68 123.61 8.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 60.52 37.35 19.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 49.1 t -117.2 141.85 47.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.0 m -94.47 131.52 40.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.703 HG22 HD12 ' A' ' 21' ' ' LEU . 25.6 t -127.27 128.21 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.75 ' O ' HD23 ' A' ' 45' ' ' LEU . 18.6 mtp85 -128.26 144.32 51.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.751 HD12 ' HB2' ' A' ' 64' ' ' CYS . 30.0 mt -142.53 150.68 40.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -143.71 102.12 3.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 163.21 -132.78 2.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.445 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -160.73 83.66 1.99 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.714 0.292 . . . . 0.0 110.844 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.519 ' HB3' HD22 ' A' ' 28' ' ' LEU . 58.6 Cg_endo -71.89 175.08 10.22 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.57 2.18 . . . . 0.0 112.304 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.75 -67.64 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.55 123.37 33.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.626 HD23 HG11 ' A' ' 83' ' ' VAL . 34.5 tp -99.14 131.83 44.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -143.21 137.17 28.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.958 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.543 HD12 ' HB2' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -139.37 118.01 12.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.6 p -136.37 159.66 41.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.028 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.65 37.51 25.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.014 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -108.48 135.14 50.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.131 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -135.79 121.4 19.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.3 m 60.7 27.93 17.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.963 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 61.0 m -103.16 169.25 8.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -135.63 146.09 47.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.508 HD13 ' CD1' ' A' ' 35' ' ' LEU . 10.5 tp -142.87 117.15 9.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.012 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.1 mt -120.54 101.27 7.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.797 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.751 ' HB2' HD12 ' A' ' 45' ' ' LEU . 38.4 t -129.84 157.13 43.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.026 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.629 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -66.9 -179.8 11.96 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.444 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.43 ' HG3' ' CD1' ' A' ' 130' ' ' PHE . 18.4 Cg_endo -58.93 117.52 4.25 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.583 2.189 . . . . 0.0 112.247 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.497 HG22 ' N ' ' A' ' 68' ' ' SER . 12.8 p -58.66 158.89 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.2 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.497 ' N ' HG22 ' A' ' 67' ' ' VAL . 23.1 t -70.93 -52.17 21.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.904 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.42 -77.93 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.081 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.56 -179.94 8.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.983 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.472 HG21 ' CG1' ' A' ' 83' ' ' VAL . 15.0 t -124.77 159.8 30.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.085 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.471 ' N ' HG12 ' A' ' 71' ' ' VAL . 37.4 m-85 -130.73 156.44 44.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.511 HD21 HG21 ' A' ' 96' ' ' THR . 2.2 tp -154.8 109.53 3.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -139.86 143.43 36.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.047 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.96 34.73 13.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 85.8 m -113.18 153.34 28.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.8 m -162.69 139.33 7.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.63 29.21 18.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 56.3 m -105.55 163.78 12.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -130.99 90.07 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.05 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.405 HD21 HG11 ' A' ' 71' ' ' VAL . 3.8 tp -83.11 143.58 30.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -139.65 98.28 3.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 65' ' ' GLY . 10.3 p -167.72 136.89 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.32 142.36 27.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.03 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.405 ' SG ' HD12 ' A' ' 100' ' ' LEU . 27.6 p -154.84 -179.89 8.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.952 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -95.76 -34.14 12.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -139.58 133.15 30.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.847 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.716 HD13 HD13 ' A' ' 100' ' ' LEU . 16.1 tp -115.45 133.73 55.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.969 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.49 121.03 32.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.435 HD12 HG12 ' A' ' 108' ' ' VAL . 18.3 mt -120.42 153.74 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.051 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.438 ' CD2' ' HB3' ' A' ' 109' ' ' GLU . 19.1 m80 -159.96 130.38 5.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.1 m 58.25 32.23 21.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.109 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.587 ' O ' HD11 ' A' ' 114' ' ' ILE . 12.6 m -107.43 143.3 35.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.824 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.01 143.54 19.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.7 t70 59.1 38.32 23.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.511 HG21 HD21 ' A' ' 73' ' ' LEU . 45.3 m -121.09 114.15 21.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 27.5 mtt85 -80.98 111.6 17.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.945 HG22 HD22 ' A' ' 100' ' ' LEU . 26.2 mt -111.03 115.49 50.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.251 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.732 ' CD2' ' HB3' ' A' ' 117' ' ' ALA . 13.4 m-85 -107.13 95.05 5.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.79 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.945 HD22 HG22 ' A' ' 98' ' ' ILE . 2.4 pt? -134.81 175.82 9.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -126.66 90.07 3.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.1 m -80.51 131.56 33.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.159 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 9.5 p -98.31 -30.71 12.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.03 -70.17 0.7 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.21 174.39 1.04 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -131.38 153.65 49.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.069 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 20.5 mt -131.3 146.8 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.178 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.435 HG12 HD12 ' A' ' 90' ' ' ILE . 5.5 m -144.73 116.15 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.103 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.438 ' HB3' ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -115.98 125.29 52.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 59.9 35.21 21.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 59.9 m -105.63 152.99 22.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.955 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 40.0 m -159.27 130.64 6.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.0 34.51 30.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.538 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.587 HD11 ' O ' ' A' ' 93' ' ' THR . 26.5 mm -93.21 156.87 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.796 0.332 . . . . 0.0 111.03 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.447 ' N ' HG22 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -123.9 136.29 54.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -125.98 111.96 15.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.845 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.732 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . . . -131.66 153.85 81.64 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.76 169.73 0.53 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.524 2.15 . . . . 0.0 112.257 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.668 ' O ' HG23 ' A' ' 120' ' ' THR . 75.3 t80 -98.9 144.29 28.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.668 HG23 ' O ' ' A' ' 119' ' ' TYR . 1.2 p -165.67 118.87 1.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.585 ' O ' HD12 ' A' ' 126' ' ' ILE . 0.5 OUTLIER -175.19 139.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.87 -170.14 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.445 ' O ' HG22 ' A' ' 126' ' ' ILE . 0.1 OUTLIER 178.05 -52.95 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.953 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.416 ' HD3' ' CB ' ' A' ' 123' ' ' TYR . 47.8 Cg_exo -56.13 -26.68 61.42 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.371 2.047 . . . . 0.0 112.421 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -138.38 48.19 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.142 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.585 HD12 ' O ' ' A' ' 121' ' ' TRP . 18.1 tt -110.14 -32.05 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.072 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -58.58 -51.67 68.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.84 -31.08 71.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.41 -47.51 83.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.43 ' CD1' ' HG3' ' A' ' 66' ' ' PRO . 7.2 m-85 -67.99 -32.61 73.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.97 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -66.04 -35.11 79.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -46.79 88.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.7 p -81.2 -36.26 30.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 99.79 28.13 7.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.501 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 96.2 mt -89.41 161.06 16.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.03 144.95 39.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 63.1 mtm180 -98.24 29.06 3.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.5 m -121.93 -41.78 2.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.26 141.67 41.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.99 124.2 5.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.823 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.95 40.99 3.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 43.4 p-90 -69.03 -28.58 66.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.961 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -64.13 -45.69 87.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -67.38 132.55 47.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 21.4 t -146.8 140.18 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -95.91 111.27 23.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -92.41 162.0 14.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.939 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.584 0.23 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.47 94.02 0.37 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.445 2.097 . . . . 0.0 112.359 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -162.14 -62.95 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.584 ' HZ3' HD11 ' A' ' 162' ' ' ILE . 35.0 p-90 -96.87 151.09 20.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 45.0 t -140.24 178.76 7.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 162' ' ' ILE . . . . . 0.584 HD11 ' HZ3' ' A' ' 160' ' ' TRP . 34.7 mm -112.2 158.55 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.48 ' N ' HG22 ' A' ' 162' ' ' ILE . 6.2 tp -102.97 125.07 36.39 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.16 154.89 16.89 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.406 2.07 . . . . 0.0 112.341 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.69 -31.49 70.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -76.41 -22.55 54.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.414 ' O ' HD21 ' A' ' 163' ' ' LEU . 5.1 mt-10 -95.91 29.74 2.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 111.064 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 26.5 mtp180 -107.92 29.31 7.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.021 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -113.29 102.12 10.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 2.1 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.154 -179.946 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.28 -63.43 1.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.825 0.345 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.86 170.67 15.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.65 -67.53 0.45 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.54 105.31 11.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.87 0.367 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.3 p -168.55 126.06 1.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.74 154.08 0.12 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.471 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.35 151.05 28.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.823 0.344 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -97.69 149.17 22.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 10' ' ' VAL . 11.1 p -124.93 112.28 31.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -149.55 157.79 43.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.02 -149.12 6.47 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.533 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.505 ' CD2' HD13 ' A' ' 21' ' ' LEU . 24.4 m-85 -143.77 122.45 12.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.866 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.7 p -146.16 174.64 11.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.1 m120 61.09 39.98 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 mt -126.9 153.73 45.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -147.14 129.26 15.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.96 37.05 21.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -114.74 165.14 13.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.4 t -124.2 136.69 59.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.712 HD12 HG22 ' A' ' 43' ' ' VAL . 13.7 mt -131.39 150.14 52.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -150.53 117.73 5.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.442 ' HD2' HD21 ' A' ' 28' ' ' LEU . 14.0 mttt -118.74 143.48 46.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.15 179.93 4.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.03 -43.72 91.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.036 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 m -62.2 -33.64 74.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -72.63 -59.35 2.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.442 HD21 ' HD2' ' A' ' 23' ' ' LYS . 5.4 mt -63.07 -66.66 0.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.846 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 59.7 52.54 5.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 60.61 81.29 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -144.47 158.48 43.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -82.23 122.61 28.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.824 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.669 ' HB ' HD12 ' A' ' 52' ' ' LEU . 21.5 t -95.87 125.84 48.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.13 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 tp -113.27 112.95 24.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.622 ' HB2' HD12 ' A' ' 54' ' ' LEU . 14.6 mt -127.48 105.28 8.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.3 t -145.4 164.31 31.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 59.87 31.38 20.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.0 mt -105.88 170.86 7.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 m -169.95 123.27 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 61.3 30.31 19.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.803 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.4 t -107.79 125.55 51.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.99 130.86 44.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.712 HG22 HD12 ' A' ' 21' ' ' LEU . 21.6 t -131.06 115.34 29.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -107.49 101.74 11.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.959 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.792 HD12 ' HB2' ' A' ' 64' ' ' CYS . 14.4 mt -92.9 160.11 15.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -156.32 107.91 2.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 159.63 -120.1 0.94 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.555 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -169.21 82.3 0.67 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.721 0.296 . . . . 0.0 110.94 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.54 168.36 22.81 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.57 2.18 . . . . 0.0 112.277 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -77.56 -59.48 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.8 m -143.59 121.4 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.669 HD12 ' HB ' ' A' ' 33' ' ' VAL . 7.4 tp -92.83 145.54 24.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -145.97 124.24 12.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.946 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.622 HD12 ' HB2' ' A' ' 35' ' ' LEU . 6.7 tp -134.07 106.12 7.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.6 p -131.27 157.78 42.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 60.0 35.84 21.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.93 156.97 16.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.065 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -160.41 119.39 2.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 61.6 m 60.8 32.9 20.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 29.6 m -112.62 157.44 21.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.978 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -123.35 135.98 54.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.656 HD21 HD21 ' A' ' 52' ' ' LEU . 15.3 tp -128.97 125.4 37.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.953 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.495 HD23 ' HB3' ' A' ' 82' ' ' ALA . 2.0 mt -133.6 110.12 9.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.792 ' HB2' HD12 ' A' ' 45' ' ' LEU . 44.5 t -144.73 152.3 40.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.011 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.2 -179.86 2.24 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.449 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.537 ' HB2' HD12 ' A' ' 135' ' ' LEU . 18.5 Cg_endo -59.98 114.77 2.23 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.562 2.175 . . . . 0.0 112.153 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.479 HG22 ' N ' ' A' ' 68' ' ' SER . 11.5 p -57.59 158.48 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.479 ' N ' HG22 ' A' ' 67' ' ' VAL . 26.3 t -72.38 -51.7 19.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 p -102.71 -79.04 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.963 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -163.97 179.92 6.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.826 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.564 HG22 ' HB3' ' A' ' 52' ' ' LEU . 21.4 t -126.47 158.99 36.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.008 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.484 ' N ' HG12 ' A' ' 71' ' ' VAL . 39.8 m-85 -128.01 151.47 49.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.966 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.58 HD11 HD23 ' A' ' 54' ' ' LEU . 2.0 tp -145.2 130.25 18.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 62.5 tt0 -157.53 141.13 15.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 61.67 36.65 16.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 92.8 m -111.33 143.5 42.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.7 t -153.25 134.98 14.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 60.95 37.98 17.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.018 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.612 ' HB2' HG23 ' A' ' 96' ' ' THR . 59.7 m -117.28 165.94 12.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.23 100.19 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.17 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.509 ' HB3' HG23 ' A' ' 98' ' ' ILE . 1.5 tp -95.94 116.05 28.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.495 ' HB3' HD23 ' A' ' 63' ' ' LEU . . . -117.83 97.38 5.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.456 ' O ' HG13 ' A' ' 83' ' ' VAL . 11.2 p -165.45 122.12 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.33 138.74 40.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 13.2 p -151.02 176.29 11.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -85.92 -31.09 22.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -147.98 135.21 20.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.473 HD23 ' HE1' ' A' ' 116' ' ' PHE . 26.8 tp -116.48 125.35 51.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -115.29 118.57 33.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 91' ' ' HIS . 3.5 mt -120.96 158.45 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.486 ' N ' HG22 ' A' ' 90' ' ' ILE . 17.5 t-80 -168.3 133.62 1.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.78 35.2 19.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 63.6 m -107.92 149.15 28.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.4 pttt -157.57 134.43 10.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.949 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 59.01 31.11 21.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.612 HG23 ' HB2' ' A' ' 79' ' ' CYS . 5.8 m -111.62 101.65 10.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -67.6 136.49 54.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.725 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.808 HG22 HD22 ' A' ' 100' ' ' LEU . 18.5 mt -136.04 102.53 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.738 ' CD2' ' HB3' ' A' ' 117' ' ' ALA . 45.4 m-85 -97.08 107.42 19.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.808 HD22 HG22 ' A' ' 98' ' ' ILE . 2.4 pt? -151.2 -179.98 7.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -128.41 91.78 3.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 10.0 m -76.66 124.7 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.173 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.1 p -83.21 -33.01 26.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.39 -74.26 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.533 ' NE ' HD11 ' A' ' 107' ' ' ILE . 0.0 OUTLIER -177.03 171.76 2.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.817 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -121.19 154.9 35.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.087 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.533 HD11 ' NE ' ' A' ' 105' ' ' ARG . 27.7 mm -124.46 137.83 55.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 146' ' ' ASP . 9.4 m -135.83 143.39 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.412 ' HB3' ' CD2' ' A' ' 91' ' ' HIS . 8.2 tt0 -150.43 127.02 10.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.937 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.13 37.23 20.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 60.3 m -115.86 150.58 36.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.0 m -148.0 132.16 17.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.2 29.07 51.85 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.462 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 23.7 mm -82.51 153.43 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.733 0.301 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.402 ' OE1' HD13 ' A' ' 163' ' ' LEU . 16.8 mt-30 -128.64 136.39 50.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.473 ' HE1' HD23 ' A' ' 88' ' ' LEU . 76.5 m-85 -125.61 105.89 9.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.738 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . . . -121.53 149.4 52.53 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.171 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.03 164.35 1.71 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.59 2.194 . . . . 0.0 112.327 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -86.57 106.56 17.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.822 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.4 t -120.65 106.78 12.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.43 ' CZ2' ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -158.64 124.94 4.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 35.6 m -104.97 154.44 20.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.454 ' CG ' ' HD2' ' A' ' 124' ' ' PRO . 0.3 OUTLIER -176.97 151.8 0.98 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.454 ' HD2' ' CG ' ' A' ' 123' ' ' TYR . 66.2 Cg_exo -51.27 -26.87 21.47 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.624 2.216 . . . . 0.0 112.362 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -131.84 53.13 2.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 4.3 tp -95.97 -39.35 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.083 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.53 -38.95 71.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -68.76 -29.97 68.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -59.09 -44.87 91.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -61.66 -31.11 71.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -63.5 -34.35 77.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.0 m -60.19 -69.92 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -31.11 69.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.953 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 86.75 28.17 27.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.561 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.537 HD12 ' HB2' ' A' ' 66' ' ' PRO . 46.8 mt -84.11 157.79 21.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.787 0.327 . . . . 0.0 110.889 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.36 132.2 35.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 5.8 ttt-85 -97.97 33.99 2.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.94 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 23.1 t -143.89 -70.28 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -63.44 123.55 19.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -163.11 127.21 2.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.01 74.98 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' TRP . . . . . 0.661 ' CZ3' HD12 ' A' ' 162' ' ' ILE . 43.3 p-90 -84.43 -29.18 26.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -68.3 -31.88 71.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.792 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.88 119.94 31.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 146' ' ' ASP . 21.5 t -141.27 155.98 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.181 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ASP . . . . . 0.468 ' O ' HG22 ' A' ' 108' ' ' VAL . 0.5 OUTLIER -99.18 130.4 45.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.964 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -109.02 163.58 13.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -151.18 65.16 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -173.4 83.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -128.31 124.5 36.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.0 -67.14 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.956 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -114.35 96.56 5.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.079 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -176.85 -58.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 61.22 38.05 16.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 16.1 tpp -152.84 -69.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -153.42 143.33 22.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 21.4 m -77.64 111.44 17.56 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -72.68 61.7 3.68 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.362 2.042 . . . . 0.0 112.348 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -107.62 -58.66 1.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.977 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 34.8 p-90 -103.87 154.83 19.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 42.6 t -148.27 178.84 8.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' ILE . . . . . 0.661 HD12 ' CZ3' ' A' ' 142' ' ' TRP . 27.4 mm -115.55 152.89 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.468 HD12 ' HD2' ' A' ' 164' ' ' PRO . 10.3 tp -96.93 138.42 21.31 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 164' ' ' PRO . . . . . 0.468 ' HD2' HD12 ' A' ' 163' ' ' LEU . 48.7 Cg_endo -68.94 179.87 2.99 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.481 2.121 . . . . 0.0 112.264 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -96.38 41.82 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -122.6 -42.17 2.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -102.65 29.72 5.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.006 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' ARG . . . . . 0.456 ' HD2' HD23 ' A' ' 163' ' ' LEU . 40.2 mmm-85 -78.39 -31.54 48.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -95.88 109.81 22.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.816 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 3.8 mt -102.99 126.28 57.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.69 94.83 2.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 172' ' ' TRP . . . . . . . . . . . . . 40.4 m95 -77.01 -31.68 56.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.943 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -69.34 109.66 4.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.05 -44.6 60.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 159.99 -71.14 0.23 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.494 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.17 -37.46 8.17 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.523 2.149 . . . . 0.0 112.368 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 25.7 p -83.97 128.04 34.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.3 t -96.1 -47.13 6.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 CA-C-O 118.359 -1.245 . . . . 0.0 112.562 179.952 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.7 t -176.6 -40.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.897 0.379 . . . . 0.0 110.935 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m 60.64 -179.04 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.69 -112.18 0.89 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.547 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t -70.34 -56.44 6.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.25 -170.27 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.32 -119.38 18.3 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.442 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m 62.12 120.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.358 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -70.62 85.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.0 m -98.92 31.01 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.4 p -151.79 122.78 7.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -91.31 -141.15 9.43 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.505 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -109.75 134.97 51.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.351 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 72.2 m -154.11 172.22 17.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 60.99 34.77 19.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 mp -118.94 145.11 46.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -138.34 132.65 31.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.3 t 60.07 35.95 21.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -119.12 172.33 7.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.3 t -130.37 139.78 50.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.097 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.578 HD12 HG22 ' A' ' 43' ' ' VAL . 7.6 mt -130.44 142.83 50.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -146.09 151.89 38.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -147.05 148.7 31.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.3 tpp180 -105.32 174.7 5.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.69 -52.97 54.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 m -61.91 -32.92 73.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -66.24 -41.08 90.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.2 mt -86.08 -71.97 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 62.85 61.32 1.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.835 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 60.73 79.34 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -142.97 157.4 44.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -85.44 136.03 33.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -117.06 125.23 73.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.2 tp -115.36 124.04 50.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.537 HD22 HG21 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -135.03 111.74 10.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.98 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 t -147.03 166.22 27.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 59.99 38.91 20.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.0 mt -114.55 145.7 41.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -140.37 122.39 15.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 61.41 36.44 17.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.781 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.3 t -109.58 158.42 18.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.5 p -122.15 143.96 49.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.745 ' HB ' HD12 ' A' ' 62' ' ' LEU . 20.7 t -140.42 134.28 34.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.123 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 45.6 mtp180 -142.95 106.64 4.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.0 mt -97.31 159.92 14.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.81 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -142.07 127.12 18.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 129.84 -117.79 2.43 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.547 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -160.13 88.42 1.87 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.769 0.318 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -69.17 161.41 45.97 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.527 2.151 . . . . 0.0 112.298 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -76.6 -68.8 0.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.953 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.6 m -140.21 111.67 7.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.869 HD21 HD21 ' A' ' 62' ' ' LEU . 54.8 tp -77.3 153.04 34.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -153.3 114.26 4.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.552 HD23 HD11 ' A' ' 73' ' ' LEU . 6.6 tp -129.36 109.48 11.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.9 p -133.39 154.99 50.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.7 mttm 60.61 32.7 20.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.948 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.01 139.55 30.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.054 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 42.1 t-80 -141.03 120.41 13.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.6 m 58.87 30.06 19.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.037 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 67.1 m -106.74 155.82 19.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -119.78 143.59 47.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.869 HD21 HD21 ' A' ' 52' ' ' LEU . 3.5 tp -148.21 117.5 6.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.588 HD21 ' CH2' ' A' ' 172' ' ' TRP . 1.9 mp -133.47 112.29 11.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 5.9 p -139.76 170.24 16.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.949 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.438 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -69.61 -179.9 24.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.428 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.405 ' HG3' ' CD1' ' A' ' 130' ' ' PHE . 27.5 Cg_endo -62.43 128.22 23.05 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.521 2.147 . . . . 0.0 112.25 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.507 HG12 ' HB3' ' A' ' 85' ' ' CYS . 12.9 p -69.57 154.51 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.187 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.402 ' N ' HG22 ' A' ' 67' ' ' VAL . 0.6 OUTLIER -67.22 -49.27 65.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.967 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.57 -79.62 0.56 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.977 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 52.1 m -161.31 -179.99 7.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.08 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.532 HG13 ' HB3' ' A' ' 52' ' ' LEU . 21.4 t -124.52 159.27 30.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.125 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.489 ' N ' HG12 ' A' ' 71' ' ' VAL . 67.9 t80 -127.83 159.49 34.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.962 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.552 HD11 HD23 ' A' ' 54' ' ' LEU . 2.9 tp -154.41 134.52 13.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -158.39 140.44 13.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.18 31.94 20.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.93 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.531 ' O ' HG23 ' A' ' 93' ' ' THR . 1.8 m -98.78 145.33 27.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 t -158.28 133.48 8.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 59.83 31.87 21.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.1 t -107.73 166.93 10.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -134.13 90.05 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.959 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.738 HD21 HG12 ' A' ' 83' ' ' VAL . 6.3 tt -93.75 114.77 27.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.954 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -116.14 97.28 5.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.738 HG12 HD21 ' A' ' 81' ' ' LEU . 11.9 p -156.33 126.51 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.07 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.35 139.87 41.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.507 ' HB3' HG12 ' A' ' 67' ' ' VAL . 30.7 p -158.93 171.91 19.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -82.13 -47.49 12.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.768 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -127.99 150.63 49.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.82 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.836 HD22 HD11 ' A' ' 100' ' ' LEU . 23.6 tp -126.09 143.27 51.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.95 112.6 12.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.601 HD11 ' CD2' ' A' ' 88' ' ' LEU . 4.3 mt -127.17 142.6 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -155.92 141.66 17.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.03 30.63 20.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.966 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 76' ' ' CYS . 17.7 m -107.98 147.77 30.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.827 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -157.9 142.2 16.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.39 30.33 18.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.6 m -112.15 122.36 47.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.983 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 53.1 mtt180 -94.1 111.26 22.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.818 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.986 HG22 HD22 ' A' ' 100' ' ' LEU . 28.4 mt -106.42 127.67 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.73 ' CD2' ' HB3' ' A' ' 117' ' ' ALA . 65.0 m-85 -118.46 97.41 5.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.986 HD22 HG22 ' A' ' 98' ' ' ILE . 2.2 pt? -143.31 171.39 14.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -121.86 100.25 6.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 141' ' ' ASN . 15.8 m -86.5 122.83 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.174 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 16.1 p -97.02 21.94 9.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.1 m -150.49 -71.22 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.82 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.3 ptt85 -178.11 168.97 1.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -131.84 147.01 52.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.092 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 31.2 mt -112.95 143.03 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.075 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 31.5 m -147.94 147.35 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -151.9 130.34 12.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 59.94 34.8 21.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 72.0 m -105.3 145.05 31.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.6 m -153.83 134.88 13.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.59 28.24 57.71 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.45 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.407 HG22 ' N ' ' A' ' 115' ' ' GLN . 25.6 mm -92.8 154.5 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.822 0.344 . . . . 0.0 111.109 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.407 ' N ' HG22 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -128.1 119.76 26.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -109.15 118.01 35.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.73 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . . . -130.05 163.63 46.18 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.074 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.639 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 55.3 Cg_endo -69.85 148.08 63.73 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.546 2.164 . . . . 0.0 112.315 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -68.61 131.82 45.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 32.6 p -141.14 106.29 4.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.657 ' O ' HD13 ' A' ' 126' ' ' ILE . 0.0 OUTLIER -152.43 86.76 1.29 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.76 117.12 14.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.974 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.411 ' O ' HG22 ' A' ' 126' ' ' ILE . 1.4 t80 -155.54 141.72 13.03 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.48 -33.57 68.1 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.548 2.166 . . . . 0.0 112.322 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 40.0 mp0 -98.92 46.78 0.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.938 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.657 HD13 ' O ' ' A' ' 121' ' ' TRP . 1.2 tp -99.87 -41.21 9.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.432 ' N ' HG23 ' A' ' 126' ' ' ILE . 0.3 OUTLIER -68.18 -25.25 65.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.061 179.876 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.1 mtmt -77.16 -31.18 55.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -76.38 -35.71 58.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.405 ' CD1' ' HG3' ' A' ' 66' ' ' PRO . 26.0 m-85 -80.92 -41.78 22.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.978 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -31.39 70.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.956 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.3 m -71.94 -38.09 69.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 89.9 p -71.87 -49.16 40.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 110.39 28.36 4.09 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.506 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 8.6 mt -93.16 154.91 17.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.348 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.74 126.84 50.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -98.87 31.17 3.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.22 30.76 5.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -129.52 -70.49 0.65 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 18.9 t30 60.21 89.8 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.725 ' O ' HG23 ' A' ' 102' ' ' VAL . 1.4 m-20 -134.05 83.15 2.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 49.4 p-90 -107.07 -28.63 9.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -57.72 -31.23 66.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.972 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -75.4 108.39 8.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 28.1 t -125.72 147.37 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.83 134.68 47.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -126.43 157.48 38.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -98.59 29.48 3.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -143.98 31.35 1.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -62.54 116.99 5.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 2.2 mt -128.03 32.73 4.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 156' ' ' ALA . . . -101.55 167.6 10.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 8.0 mmp_? -81.59 -31.5 32.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -142.78 -49.59 0.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 1.9 ptp -165.51 99.21 0.7 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.688 ' O ' ' HB2' ' A' ' 152' ' ' ALA . . . -171.43 132.06 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.173 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.54 86.34 6.86 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.27 83.38 0.99 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.536 2.157 . . . . 0.0 112.289 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -156.46 -55.2 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 41.7 p-90 -107.92 133.46 52.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.26 158.23 19.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 21.5 mt -98.39 141.65 15.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.773 HD21 ' O ' ' A' ' 167' ' ' GLU . 12.8 tp -66.58 136.86 94.94 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -73.47 -167.68 0.39 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.449 2.099 . . . . 0.0 112.264 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -97.91 29.32 3.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -123.05 -40.91 2.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.773 ' O ' HD21 ' A' ' 163' ' ' LEU . 2.9 mm-40 -97.27 28.97 3.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.073 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -86.24 -34.71 20.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.919 0.39 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -78.54 93.08 4.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 170' ' ' ILE . . . . . 0.401 ' HB ' ' CZ2' ' A' ' 172' ' ' TRP . 2.5 mt -82.49 138.46 19.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.082 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -85.77 126.29 33.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 172' ' ' TRP . . . . . 0.588 ' CH2' HD21 ' A' ' 63' ' ' LEU . 48.7 m95 -110.83 31.74 5.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -134.11 -56.14 0.86 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 1.3 m 60.43 102.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.956 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 150.01 -65.39 0.38 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.451 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.04 140.49 41.74 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.595 2.197 . . . . 0.0 112.298 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 52.5 m -127.93 90.74 3.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 38.7 t -135.85 158.92 43.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.398 -1.223 . . . . 0.0 112.55 179.969 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.1 m -152.05 154.75 36.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.754 0.312 . . . . 0.0 110.954 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.53 147.81 52.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.23 -116.54 4.22 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 p -142.89 81.89 1.74 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.812 0.339 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 p 58.65 167.68 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.82 -75.11 0.36 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 t -123.19 175.91 6.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.751 0.31 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -60.91 -64.96 0.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.1 t 63.96 89.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.082 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -116.89 151.65 36.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.3 -170.37 40.21 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.474 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -144.18 143.95 31.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.808 0.337 . . . . 0.0 110.834 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 65.5 p -164.28 169.72 17.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.954 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 60.52 39.16 18.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.0 mt -128.51 143.33 50.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.971 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -145.33 139.74 27.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.947 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.5 t 60.09 38.04 20.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -122.81 169.03 11.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.527 HG12 ' OE2' ' A' ' 22' ' ' GLU . 28.8 t -123.49 108.63 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.596 HD12 HG22 ' A' ' 43' ' ' VAL . 14.9 mt -96.67 147.1 24.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.527 ' OE2' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -154.96 130.44 9.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -130.23 150.08 51.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 mtm-85 -110.87 174.2 5.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.45 -43.41 96.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 m -61.71 -32.21 72.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -74.39 -39.49 62.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.473 HD12 ' O ' ' A' ' 46' ' ' TYR . 40.9 mt -72.07 -63.77 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 60.21 37.09 20.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 60.62 92.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.7 mtt180 -154.97 -178.16 7.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -99.52 121.07 40.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.53 ' HB ' HD12 ' A' ' 52' ' ' LEU . 21.5 t -95.96 127.37 48.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.422 HD12 ' HD3' ' A' ' 53' ' ' ARG . 1.6 tp -125.14 105.26 9.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.85 ' HB2' HD12 ' A' ' 54' ' ' LEU . 1.7 mt -113.72 129.21 56.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.9 t -151.62 165.18 35.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 61.09 37.28 17.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.532 HD11 ' HB3' ' A' ' 35' ' ' LEU . 85.3 mt -103.83 145.84 29.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.4 117.78 5.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 60.81 36.06 19.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 12.7 t -116.99 143.08 46.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.08 150.24 25.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.596 HG22 HD12 ' A' ' 21' ' ' LEU . 21.4 t -144.84 142.26 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.8 mtt-85 -142.48 105.67 4.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.642 HD12 ' HB3' ' A' ' 64' ' ' CYS . 7.6 mt -98.05 153.76 18.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.473 ' O ' HD12 ' A' ' 28' ' ' LEU . 87.1 m-85 -141.8 140.73 33.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 128.37 -112.94 1.51 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.513 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -171.27 82.75 0.5 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.667 0.27 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.6 154.21 68.65 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.56 2.173 . . . . 0.0 112.282 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.42 -51.76 12.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -149.82 127.81 11.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.53 HD12 ' HB ' ' A' ' 33' ' ' VAL . 26.1 tp -93.37 149.29 21.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.422 ' HD3' HD12 ' A' ' 34' ' ' LEU . 13.8 ttt85 -150.77 105.95 3.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.942 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 1.055 HD13 HD22 ' A' ' 62' ' ' LEU . 2.3 tp -122.13 131.79 54.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.796 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.2 p -146.68 164.88 31.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.068 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.8 mtmm 53.86 35.15 20.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.072 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.541 ' HB1' ' SG ' ' A' ' 79' ' ' CYS . . . -90.78 128.34 36.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.075 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -132.87 111.7 11.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.5 m 60.48 32.09 20.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 61.4 m -106.22 172.01 7.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -134.26 135.82 43.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 1.055 HD22 HD13 ' A' ' 54' ' ' LEU . 15.0 tp -133.45 109.16 9.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.713 HD23 ' HB3' ' A' ' 82' ' ' ALA . 6.9 mt -121.9 104.33 9.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.805 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.642 ' HB3' HD12 ' A' ' 45' ' ' LEU . 7.6 p -131.23 164.13 26.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.011 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.9 -179.94 12.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.463 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.609 ' HB2' HD12 ' A' ' 135' ' ' LEU . 36.3 Cg_endo -65.28 115.69 3.47 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.628 2.219 . . . . 0.0 112.284 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.486 HG22 ' N ' ' A' ' 68' ' ' SER . 11.4 p -61.27 158.67 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.182 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.486 ' N ' HG22 ' A' ' 67' ' ' VAL . 11.7 t -71.37 -52.43 18.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.52 -80.54 0.47 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.6 m -165.03 179.92 6.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.861 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.873 HG21 HG11 ' A' ' 83' ' ' VAL . 21.7 t -116.62 159.01 16.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.018 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.486 ' N ' HG12 ' A' ' 71' ' ' VAL . 45.6 m-85 -139.35 104.49 4.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.985 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.722 HD11 HD23 ' A' ' 54' ' ' LEU . 5.4 tp -100.7 132.49 46.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.74 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -149.72 142.42 24.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.15 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 63.24 32.76 14.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.611 ' O ' HG23 ' A' ' 93' ' ' THR . 17.7 m -107.01 134.96 49.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 p -142.5 132.84 24.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.013 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 59.74 39.11 21.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.541 ' SG ' ' HB1' ' A' ' 57' ' ' ALA . 3.9 t -117.51 162.94 17.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.22 93.12 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.697 ' CD1' HD23 ' A' ' 62' ' ' LEU . 11.5 tp -90.96 130.03 36.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.713 ' HB3' HD23 ' A' ' 63' ' ' LEU . . . -131.02 107.72 9.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.973 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.873 HG11 HG21 ' A' ' 71' ' ' VAL . 10.7 p -164.34 122.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.51 126.16 29.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.433 ' SG ' HD12 ' A' ' 100' ' ' LEU . 15.0 p -146.1 171.54 14.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -82.02 -31.1 31.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -146.25 163.39 35.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.422 ' CD2' HD11 ' A' ' 90' ' ' ILE . 32.2 tp -143.52 124.8 14.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 38.5 ttt-85 -122.63 101.99 7.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.987 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 91' ' ' HIS . 2.6 mp -96.33 159.26 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.486 ' N ' HG22 ' A' ' 90' ' ' ILE . 2.3 t60 -161.36 133.36 5.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.967 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.8 m 60.01 35.16 21.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.042 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.611 HG23 ' O ' ' A' ' 76' ' ' CYS . 67.8 m -112.45 140.8 46.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.27 135.52 22.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.001 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 54.73 39.98 31.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.4 HG21 HD21 ' A' ' 73' ' ' LEU . 24.9 m -114.4 115.32 27.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.081 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.4 mtt85 -75.69 137.04 40.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.731 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.633 HG22 HD22 ' A' ' 100' ' ' LEU . 16.4 mt -140.84 108.85 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.19 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.45 ' CZ ' HD11 ' A' ' 170' ' ' ILE . 48.7 m-85 -102.25 101.19 11.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.633 HD22 HG22 ' A' ' 98' ' ' ILE . 2.1 pt? -138.74 165.91 25.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.968 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -113.55 89.94 3.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.706 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.4 m -80.71 120.67 32.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 82.7 p -87.75 -30.34 20.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.34 -72.37 0.63 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.818 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -178.58 162.03 1.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -115.2 152.62 32.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.039 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.4 HG22 ' N ' ' A' ' 108' ' ' VAL . 4.6 mt -126.66 153.38 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 146' ' ' ASP . 6.8 m -142.54 120.17 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.023 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.52 120.8 36.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.99 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.97 30.93 20.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.974 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 14.4 m -100.61 162.71 12.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.11 123.53 1.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.979 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.12 28.14 50.42 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.565 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 26.1 mm -81.68 127.93 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.748 0.309 . . . . 0.0 111.099 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -87.2 115.85 24.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.048 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -103.78 124.74 49.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -153.0 154.26 30.8 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.073 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.2 -174.69 0.44 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.553 2.168 . . . . 0.0 112.257 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.442 ' CZ ' ' HB3' ' A' ' 121' ' ' TRP . 11.2 t80 -101.41 124.95 47.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 3.4 t -109.8 -26.17 9.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.081 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.489 ' CD1' HD22 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -55.17 153.56 6.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.051 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.534 ' HA ' HD13 ' A' ' 126' ' ' ILE . 1.2 m -175.86 172.06 2.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -168.8 162.99 8.06 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.821 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -50.43 -31.4 30.43 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.557 2.171 . . . . 0.0 112.362 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -104.43 53.25 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.534 HD13 ' HA ' ' A' ' 122' ' ' SER . 1.0 OUTLIER -104.87 -33.96 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.037 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.11 -31.85 72.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -77.32 -30.81 54.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -72.18 -38.94 68.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.524 ' HE1' HD11 ' A' ' 126' ' ' ILE . 17.1 m-85 -76.73 -41.0 46.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -68.94 -33.58 73.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.2 m -69.94 -37.58 75.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.96 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 53.4 p -84.03 -31.49 25.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.01 30.56 7.4 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.458 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.609 HD12 ' HB2' ' A' ' 66' ' ' PRO . 75.6 mt -107.39 -176.81 3.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.807 0.337 . . . . 0.0 110.872 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.67 160.83 37.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -100.43 -31.96 11.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.52 -55.43 6.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 4.4 mttp -64.51 121.03 13.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -173.09 143.21 1.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -142.5 78.87 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 64.5 p-90 -75.42 -28.62 59.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -57.75 -31.21 66.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -71.87 120.4 17.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.994 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 21.5 t -144.61 146.82 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ASP . . . . . 0.502 ' O ' HG22 ' A' ' 108' ' ' VAL . 1.4 t70 -130.78 140.72 50.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.42 119.5 37.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -73.22 -34.52 65.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -76.75 -31.37 57.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.948 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 49.2 t-105 -122.81 122.06 37.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 8.5 tt -85.48 111.51 20.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -74.06 136.31 43.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.07 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -162.6 -46.57 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -132.74 -47.66 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 1.7 mtp -94.72 162.78 13.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.953 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -80.53 179.79 7.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.089 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 1.1 m -100.58 101.18 14.3 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.03 63.0 2.52 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.509 2.139 . . . . 0.0 112.326 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -149.05 -70.15 0.21 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 66.4 p-90 -93.74 158.9 15.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 4.1 m -143.32 156.92 44.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 32.2 mt -94.16 146.03 7.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.044 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.646 HD21 ' O ' ' A' ' 167' ' ' GLU . 13.8 tp -75.83 127.17 86.06 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.848 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.34 -167.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.41 2.073 . . . . 0.0 112.325 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -105.03 33.39 3.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -123.16 -43.59 2.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.646 ' O ' HD21 ' A' ' 163' ' ' LEU . 70.2 mt-10 -98.47 29.86 3.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.977 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.79 -31.32 45.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.935 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -80.6 126.88 31.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 170' ' ' ILE . . . . . 0.45 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 20.7 mt -111.86 146.93 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.039 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.64 105.46 7.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 172' ' ' TRP . . . . . . . . . . . . . 54.5 m95 -112.3 -53.76 2.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 14.5 p30 -156.5 158.14 36.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 11.5 t -150.11 -73.02 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -93.0 -176.04 40.95 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.55 -45.99 1.48 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.615 2.21 . . . . 0.0 112.305 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.96 31.7 6.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 14.0 p -155.74 86.05 1.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.314 -1.27 . . . . 0.0 112.484 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.179 0 N-CA-C 112.536 -0.225 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.2 t -101.64 -40.2 7.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 110.959 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 t 60.39 100.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.31 -146.32 4.49 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.442 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 t 60.35 175.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.0 110.868 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.8 p -72.57 88.95 1.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.65 130.79 50.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.546 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m -111.92 155.41 23.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.359 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.424 ' O ' ' CD2' ' A' ' 9' ' ' TRP . 36.6 p-90 -68.52 84.95 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.967 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.0 m -141.29 30.98 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.104 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.6 m -86.92 -53.5 4.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.963 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.96 -110.35 3.17 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.419 ' CE2' ' HE2' ' A' ' 23' ' ' LYS . 4.5 m-85 -146.2 129.12 16.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 0.0 110.927 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.412 ' HA ' HD21 ' A' ' 38' ' ' LEU . 23.4 p -158.68 177.71 10.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 60.35 35.85 20.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.25 146.77 48.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -150.87 147.36 27.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.7 p 58.71 32.69 22.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -125.05 174.41 8.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.8 t -128.03 114.4 34.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.7 mt -108.84 141.72 40.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.5 145.94 49.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.956 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.533 ' HB2' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -143.18 158.5 43.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.788 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.44 175.35 9.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.28 -31.07 72.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.032 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.55 -34.01 64.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.813 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -80.32 -36.0 34.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.42 HD13 ' HG3' ' A' ' 49' ' ' PRO . 6.4 mt -77.58 -50.3 12.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 59.58 31.6 21.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 60.0 71.2 0.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -127.12 -176.89 3.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -91.45 100.07 12.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.812 ' HB ' HD12 ' A' ' 52' ' ' LEU . 26.9 t -65.94 110.74 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.047 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.7 tp -109.74 115.84 30.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.969 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.503 ' HB3' HD11 ' A' ' 38' ' ' LEU . 6.3 mt -135.19 133.56 39.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.6 t -162.11 166.74 25.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 62.13 40.04 12.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.503 HD11 ' HB3' ' A' ' 35' ' ' LEU . 18.2 mt -110.15 163.3 13.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.983 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.7 m -158.69 111.28 2.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 60.84 31.35 20.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.8 t -101.23 103.49 14.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.53 144.8 55.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.784 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.632 ' HB ' HD12 ' A' ' 62' ' ' LEU . 21.5 t -131.58 157.36 43.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.453 ' N ' HG12 ' A' ' 43' ' ' VAL . 12.8 mtt180 -155.57 100.09 2.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.54 HD12 ' HB2' ' A' ' 64' ' ' CYS . 11.3 mt -102.72 158.27 16.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -147.62 100.18 3.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 165.41 -138.82 5.45 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -148.22 67.65 9.97 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.773 0.321 . . . . 0.0 110.968 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.42 ' HG3' HD13 ' A' ' 28' ' ' LEU . 50.5 Cg_exo -53.28 146.47 40.03 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.579 2.186 . . . . 0.0 112.25 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -62.61 -56.87 13.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.406 HG23 ' OG1' ' A' ' 69' ' ' THR . 0.1 OUTLIER -136.39 151.16 49.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.812 HD12 ' HB ' ' A' ' 33' ' ' VAL . 7.4 tp -123.98 140.4 53.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -152.39 116.04 4.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.483 HD12 ' HB2' ' A' ' 35' ' ' LEU . 2.0 tp -127.34 128.67 46.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.807 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.0 p -149.17 160.11 43.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.4 mttm 59.62 37.45 22.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -107.49 144.1 34.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.001 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -138.41 121.68 17.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.3 m 59.53 27.24 16.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 59.0 m -95.55 146.69 24.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -118.03 111.12 18.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.632 HD12 ' HB ' ' A' ' 43' ' ' VAL . 5.2 tp -112.05 128.21 56.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.599 HD23 ' HB3' ' A' ' 82' ' ' ALA . 6.6 mt -137.74 111.29 8.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.54 ' HB2' HD12 ' A' ' 45' ' ' LEU . 51.6 t -141.25 156.29 45.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.59 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -58.81 -179.91 1.3 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.516 ' HB3' ' HB3' ' A' ' 84' ' ' ALA . 28.8 Cg_endo -62.97 119.37 6.41 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.613 2.208 . . . . 0.0 112.209 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.647 HG12 ' O ' ' A' ' 84' ' ' ALA . 11.9 p -58.59 158.44 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.07 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.481 ' N ' HG22 ' A' ' 67' ' ' VAL . 3.4 t -69.12 -52.32 29.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.971 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.406 ' OG1' HG23 ' A' ' 51' ' ' THR . 0.6 OUTLIER -105.12 -77.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.994 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.46 179.98 7.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.0 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.726 HG21 HG11 ' A' ' 83' ' ' VAL . 24.4 t -123.2 158.8 27.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.49 ' N ' HG12 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -132.89 118.56 19.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.6 tp -113.78 136.97 52.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -160.87 142.16 11.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 62.9 32.49 15.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 10.0 m -103.0 138.53 39.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.4 t -147.8 130.53 16.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 60.33 34.13 20.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.606 ' HB2' HG23 ' A' ' 96' ' ' THR . 14.5 m -107.7 165.86 11.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -134.13 90.21 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 tp -86.85 151.19 23.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.599 ' HB3' HD23 ' A' ' 63' ' ' LEU . . . -149.19 97.25 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.726 HG11 HG21 ' A' ' 71' ' ' VAL . 12.4 p -162.71 128.6 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.088 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.647 ' O ' HG12 ' A' ' 67' ' ' VAL . . . -76.25 154.46 35.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.068 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.452 ' SG ' HD12 ' A' ' 100' ' ' LEU . 30.7 p -169.93 -179.95 3.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -104.39 -31.54 9.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -137.64 121.17 17.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.952 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.461 HD22 HD11 ' A' ' 100' ' ' LEU . 32.6 tp -115.17 138.18 51.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.13 117.04 19.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.673 HD12 HG12 ' A' ' 108' ' ' VAL . 4.3 mt -114.33 147.26 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.053 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -153.13 131.62 12.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.026 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 63.4 m 59.33 37.09 23.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.996 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.614 ' O ' HD11 ' A' ' 114' ' ' ILE . 51.6 m -110.42 134.02 52.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.797 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -148.08 140.47 24.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.32 30.74 20.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.606 HG23 ' HB2' ' A' ' 79' ' ' CYS . 7.0 m -113.16 130.08 56.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.979 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -93.36 140.32 29.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.697 HG22 HD22 ' A' ' 100' ' ' LEU . 29.5 mt -139.3 126.57 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.157 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.513 ' CZ ' HD22 ' A' ' 163' ' ' LEU . 9.7 m-85 -116.51 109.06 16.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.697 HD22 HG22 ' A' ' 98' ' ' ILE . 2.1 pt? -152.41 176.06 12.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -127.63 90.09 3.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 8.8 m -81.9 121.38 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 70.1 p -90.59 -33.77 15.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.56 -74.86 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -176.61 176.05 1.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -142.22 157.73 44.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 22.3 mt -123.83 148.77 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.673 HG12 HD12 ' A' ' 90' ' ' ILE . 5.2 m -149.79 109.65 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.088 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -122.41 138.26 54.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.804 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 60.18 30.88 20.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.452 ' O ' ' ND2' ' A' ' 159' ' ' ASN . 96.9 m -110.76 152.93 26.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 m -157.75 128.8 6.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.1 28.05 50.81 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.557 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.614 HD11 ' O ' ' A' ' 93' ' ' THR . 26.7 mm -82.24 148.1 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.819 0.343 . . . . 0.0 111.085 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -112.82 129.34 56.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -122.74 122.22 38.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.594 ' HB1' ' HD2' ' A' ' 118' ' ' PRO . . . -140.02 162.17 51.82 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.061 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.594 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 51.8 Cg_endo -69.24 168.53 20.61 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.558 2.172 . . . . 0.0 112.343 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -112.96 127.1 56.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.27 31.33 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -84.24 178.43 7.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.748 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.787 ' HB2' HD13 ' A' ' 126' ' ' ILE . 3.8 m 61.23 -177.54 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.841 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.442 ' N ' ' HD2' ' A' ' 124' ' ' PRO . 0.3 OUTLIER -177.52 -62.38 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.01 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.442 ' HD2' ' N ' ' A' ' 123' ' ' TYR . 19.3 Cg_endo -58.84 -23.18 66.01 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.491 2.128 . . . . 0.0 112.292 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -146.95 53.32 1.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.787 HD13 ' HB2' ' A' ' 122' ' ' SER . 9.1 tp -110.02 -34.97 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.061 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.422 ' OD1' HG23 ' A' ' 126' ' ' ILE . 1.2 m-20 -74.23 -38.99 63.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.908 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -73.68 -38.31 64.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.93 -34.99 79.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.23 -32.2 73.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -88.71 -31.6 18.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.17 -47.48 20.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 78.9 p -59.37 -38.18 79.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 112.26 30.59 2.87 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.436 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 24.5 mt -108.49 171.48 7.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.88 137.53 52.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 51.5 mtp85 -87.9 -31.43 19.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.49 -56.88 3.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -60.19 132.14 52.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -148.05 122.21 9.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -150.19 86.02 1.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 33.8 p-90 -110.35 -29.29 8.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.956 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.32 -31.05 67.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.07 104.95 13.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.64 127.55 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -77.25 100.67 5.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -95.22 136.29 35.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -99.11 39.71 1.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 -165.38 105.64 0.75 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -111.75 115.28 28.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.59 150.43 20.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -92.74 48.39 1.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 6.7 mtt85 -77.14 -59.61 2.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -130.23 -53.42 1.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 29.8 ttm -176.76 -40.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -92.57 -169.86 2.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.13 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 20.0 m -114.41 87.54 14.02 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.44 62.79 2.83 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.545 2.164 . . . . 0.0 112.322 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 111' ' ' CYS . 0.7 OUTLIER -107.79 -32.57 7.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 24.6 p-90 -117.78 112.27 20.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.58 170.88 15.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 33.3 mt -124.54 131.6 72.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.513 HD22 ' CZ ' ' A' ' 99' ' ' PHE . 5.5 tp -61.65 131.85 92.93 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.755 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -67.82 167.9 20.08 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.529 2.153 . . . . 0.0 112.279 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -93.14 47.58 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -141.11 -46.19 0.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -97.02 33.05 1.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -67.59 -47.81 68.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.815 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -69.33 120.41 15.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.78 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 19.3 mt -108.71 152.44 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.143 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.54 114.56 3.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 172' ' ' TRP . . . . . . . . . . . . . 31.1 m95 -102.74 -63.39 1.17 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.66 -73.69 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 26.2 t -156.29 128.12 7.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -77.94 -150.05 4.28 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -51.89 -55.04 4.29 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.559 2.173 . . . . 0.0 112.331 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.37 167.94 15.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 66.0 p -170.57 -60.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.945 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.534 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 N-CA-C 112.546 -0.222 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.49 150.79 51.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.867 0.365 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -102.32 89.3 3.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.72 -152.98 6.2 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.485 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 m -125.31 166.05 17.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.4 p -117.5 31.82 6.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.843 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.72 -99.73 0.19 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.455 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.9 p -77.19 165.3 24.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.808 0.337 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 9.6 m0 -119.09 116.5 26.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.4 t -131.4 129.2 62.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.172 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -176.21 102.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.5 -154.35 21.73 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.526 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.534 ' HB3' HD11 ' A' ' 16' ' ' LEU . 26.1 m-85 -130.83 150.44 52.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 0.0 110.894 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 90.3 p -164.14 176.81 8.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 60.36 32.65 20.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.534 HD11 ' HB3' ' A' ' 13' ' ' PHE . 11.4 mt -114.98 142.15 47.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.81 130.74 20.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m 61.84 31.73 18.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -115.39 161.4 18.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.0 t -125.67 121.89 61.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.048 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 mt -113.05 170.34 8.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -153.49 139.1 17.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.8 mttt -138.27 157.52 46.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.2 mtm-85 -127.5 179.84 5.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.82 -42.33 77.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.106 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.6 t -67.74 -30.76 70.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.09 -45.47 70.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.945 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.5 mt -77.87 -79.96 0.11 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 61.67 69.99 0.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.936 0.398 . . . . 0.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 57.69 74.06 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -134.98 165.6 24.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -103.92 101.8 11.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.823 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.549 HG12 HD11 ' A' ' 35' ' ' LEU . 25.9 t -86.76 114.64 26.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.3 tp -119.19 111.31 18.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.606 ' HB3' HD11 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -116.79 136.01 53.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.8 t -161.8 167.44 24.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.986 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 60.05 39.55 19.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.606 HD11 ' HB3' ' A' ' 35' ' ' LEU . 1.5 mt -111.49 154.54 24.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.1 115.1 6.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 60.96 30.67 19.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.935 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.6 t -100.73 131.18 46.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.6 m -91.53 134.15 34.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.512 ' HB ' HD12 ' A' ' 62' ' ' LEU . 21.5 t -134.08 130.05 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.149 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -136.3 134.82 38.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.966 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.675 HD12 ' HB3' ' A' ' 64' ' ' CYS . 8.9 mt -130.33 156.67 44.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -144.29 104.61 4.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 157.41 -137.2 5.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.486 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -150.18 83.36 6.1 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.726 0.298 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.29 173.37 11.54 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.626 2.217 . . . . 0.0 112.281 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.92 -63.3 1.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.841 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.3 m -138.37 148.23 44.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.565 ' HB3' HG13 ' A' ' 71' ' ' VAL . 16.3 tp -119.04 143.65 46.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -154.17 139.01 17.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.563 HD12 ' HB2' ' A' ' 35' ' ' LEU . 5.3 tp -147.69 131.46 16.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.789 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.0 p -148.53 158.84 44.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.04 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.1 mttt 59.64 31.26 20.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -101.78 124.91 48.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.056 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -126.55 125.71 42.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.012 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.7 m 58.49 30.92 20.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.971 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 35.1 m -108.54 150.68 27.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -111.66 140.95 45.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.546 HD21 HD21 ' A' ' 52' ' ' LEU . 10.9 tp -135.0 128.42 32.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.953 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.537 HD23 ' HB3' ' A' ' 82' ' ' ALA . 6.1 mt -139.68 123.85 17.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.675 ' HB3' HD12 ' A' ' 45' ' ' LEU . 29.1 p -157.54 162.54 38.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -70.08 -179.93 26.63 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.476 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.425 ' HG3' ' CD1' ' A' ' 130' ' ' PHE . 26.0 Cg_endo -61.91 127.71 22.18 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.59 2.193 . . . . 0.0 112.216 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.48 HG22 ' N ' ' A' ' 68' ' ' SER . 12.1 p -69.7 158.6 5.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.167 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.48 ' N ' HG22 ' A' ' 67' ' ' VAL . 1.4 m -68.5 -53.77 21.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.969 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.8 p -102.16 -76.2 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -163.25 179.99 7.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.015 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.729 HG21 HG11 ' A' ' 83' ' ' VAL . 21.5 t -119.86 159.06 21.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.487 ' N ' HG12 ' A' ' 71' ' ' VAL . 28.0 m-85 -131.73 128.9 39.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.606 HD13 HD13 ' A' ' 81' ' ' LEU . 2.7 tp -126.4 134.4 51.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.754 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -157.41 139.03 13.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.948 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.83 39.99 10.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.029 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.3 m -105.97 135.0 48.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.84 128.96 16.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 60.69 36.35 19.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.516 ' H ' HG23 ' A' ' 96' ' ' THR . 0.5 OUTLIER -109.34 174.32 5.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.811 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.36 89.96 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.606 HD13 HD13 ' A' ' 73' ' ' LEU . 0.9 OUTLIER -84.49 138.68 32.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.537 ' HB3' HD23 ' A' ' 63' ' ' LEU . . . -139.34 99.78 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.729 HG11 HG21 ' A' ' 71' ' ' VAL . 10.8 p -163.62 153.31 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.081 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -105.65 130.3 53.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 9.4 p -144.27 179.98 6.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.958 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -100.78 -31.27 11.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.964 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -143.59 99.92 3.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.677 HD22 ' CD1' ' A' ' 100' ' ' LEU . 47.8 tp -78.68 158.3 28.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -146.2 105.32 3.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.956 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.71 ' HB ' HG12 ' A' ' 108' ' ' VAL . 18.2 mt -109.82 158.61 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.463 ' N ' HG22 ' A' ' 90' ' ' ILE . 50.2 t-80 -167.54 142.91 3.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.119 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.4 m 51.07 28.69 4.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.214 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.432 ' O ' HD11 ' A' ' 114' ' ' ILE . 28.8 m -100.12 139.35 35.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.7 pttp -151.06 130.76 13.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.975 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.31 39.96 21.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.032 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.516 HG23 ' H ' ' A' ' 79' ' ' CYS . 34.6 m -121.0 112.39 18.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -64.73 139.48 58.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.798 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.597 HG22 HD22 ' A' ' 100' ' ' LEU . 27.8 mt -140.83 123.68 15.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.196 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -120.38 100.32 7.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.791 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.677 ' CD1' HD22 ' A' ' 88' ' ' LEU . 1.9 pt? -137.7 171.62 14.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.054 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -128.7 89.9 2.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.819 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.8 m -81.53 134.2 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 10.6 p -100.8 -30.78 11.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.62 -65.51 0.97 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -177.62 177.64 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -129.47 164.23 24.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.055 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 32.8 mt -142.14 138.97 30.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.71 HG12 ' HB ' ' A' ' 90' ' ' ILE . 30.3 m -148.69 129.18 4.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.046 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.429 ' HB3' ' CD2' ' A' ' 91' ' ' HIS . 0.2 OUTLIER -126.21 129.44 48.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.04 30.93 18.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 13.7 m -107.5 141.19 39.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.51 136.88 23.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.07 27.74 63.7 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.571 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.435 ' CG2' HD12 ' A' ' 98' ' ' ILE . 29.7 mm -82.48 114.7 23.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.841 0.353 . . . . 0.0 111.054 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -80.93 104.37 11.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.967 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.439 ' HZ ' HG11 ' A' ' 108' ' ' VAL . 81.9 m-85 -90.53 136.66 32.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.505 ' HB1' ' HD2' ' A' ' 118' ' ' PRO . . . -155.15 159.8 31.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.99 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.505 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 55.7 Cg_endo -70.01 159.3 53.72 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.532 2.154 . . . . 0.0 112.301 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -79.97 95.38 6.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.75 105.02 15.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -161.95 120.54 2.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.55 131.25 56.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -145.43 160.13 46.11 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.35 -32.67 52.66 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.596 2.198 . . . . 0.0 112.319 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -131.64 64.3 1.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -110.11 -33.58 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.003 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.43 -34.11 63.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.847 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -30.9 69.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.34 -45.78 79.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.425 ' CD1' ' HG3' ' A' ' 66' ' ' PRO . 11.2 m-85 -58.92 -37.28 76.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.046 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.06 -33.72 50.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.18 -55.51 32.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 40.3 p -61.57 -37.52 84.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 107.91 30.28 4.03 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.467 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 34.5 mt -96.19 159.61 14.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.784 0.326 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.71 152.3 25.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.822 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -112.05 30.31 7.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.78 -34.69 6.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -85.92 128.69 34.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -154.85 111.83 3.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -139.1 43.16 2.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' TRP . . . . . 0.429 ' CZ2' ' ND2' ' A' ' 143' ' ' ASN . 64.1 p-90 -66.24 -30.75 71.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.429 ' ND2' ' CZ2' ' A' ' 142' ' ' TRP . 18.1 m-80 -59.31 -36.09 74.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.21 110.97 21.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 21.6 t -122.53 146.1 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -83.47 153.24 24.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -135.1 130.12 35.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.806 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -106.21 -30.21 9.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -90.16 52.17 2.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' TRP . . . . . 0.438 ' CZ2' ' HD2' ' A' ' 158' ' ' PRO . 36.3 t-105 -175.22 128.09 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.96 113.37 7.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -84.87 89.91 7.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.041 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -126.41 72.47 1.32 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.3 t0 59.2 31.42 21.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.11 151.44 45.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -71.84 -178.48 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.042 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.8 80.82 49.2 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.438 ' HD2' ' CZ2' ' A' ' 150' ' ' TRP . 26.5 Cg_exo -62.51 76.15 0.1 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.68 2.253 . . . . 0.0 112.24 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -140.52 -61.07 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 66.3 p-90 -91.01 141.95 28.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.802 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -127.96 164.67 21.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.956 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 18.2 mt -101.1 141.68 17.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.547 HD21 ' O ' ' A' ' 167' ' ' GLU . 13.8 tp -75.99 137.36 69.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 164' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 163' ' ' LEU . 51.6 Cg_exo -55.15 -168.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.437 2.091 . . . . 0.0 112.273 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -105.34 29.8 6.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -117.28 -42.18 2.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.547 ' O ' HD21 ' A' ' 163' ' ' LEU . 1.1 mp0 -98.73 31.41 2.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -67.21 -55.83 12.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -102.92 158.68 16.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 170' ' ' ILE . . . . . 0.445 HG22 ' N ' ' A' ' 171' ' ' GLN . 31.2 mt -142.22 156.26 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 171' ' ' GLN . . . . . 0.445 ' N ' HG22 ' A' ' 170' ' ' ILE . 10.4 tt0 -75.64 112.71 12.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 172' ' ' TRP . . . . . 0.421 ' CH2' ' HB ' ' A' ' 170' ' ' ILE . 33.7 m95 -98.8 31.35 2.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -134.03 104.17 6.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 4.7 m -77.97 -53.84 6.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 61.75 168.28 0.62 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.526 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -51.46 166.55 0.48 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.718 2.278 . . . . 0.0 112.399 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 31.4 t -179.68 -38.62 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.86 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.6 t 69.47 85.65 0.14 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.339 -1.256 . . . . 0.0 112.449 179.903 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.158 0 N-CA-C 112.568 -0.213 . . . . 0.0 112.568 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -170.9 -176.12 1.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 m -152.26 109.45 3.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.25 -61.44 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.529 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.14 39.89 1.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 110.929 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.5 p -76.93 87.57 3.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.11 51.63 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.475 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.31 146.05 18.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.82 0.343 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 13.3 m0 -102.0 -61.2 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.4 t 59.52 95.51 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.217 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.2 m -98.13 35.61 1.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -75.55 179.27 46.65 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.546 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.508 ' CD2' HD13 ' A' ' 21' ' ' LEU . 11.4 m-85 -147.66 129.58 15.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.9 p -153.49 171.52 18.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.4 m120 60.62 32.44 20.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.937 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.3 mt -113.24 169.34 9.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -169.92 129.31 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.96 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.07 34.33 19.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -121.53 147.83 45.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.697 HG22 ' OG1' ' A' ' 42' ' ' THR . 24.8 t -107.86 109.79 29.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.063 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.515 HD12 HG22 ' A' ' 43' ' ' VAL . 12.8 mt -93.54 139.4 30.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -149.38 127.06 11.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.533 ' HD2' HD21 ' A' ' 28' ' ' LEU . 66.7 mttm -119.55 -179.95 4.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.66 167.16 16.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.946 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.96 -56.77 17.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.062 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.87 -31.13 69.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.952 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -70.51 -42.47 71.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.953 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.533 HD21 ' HD2' ' A' ' 23' ' ' LYS . 27.5 mt -79.85 -56.01 4.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.982 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 63.26 34.24 13.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.99 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 59.25 94.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.5 mtt85 -147.19 168.41 21.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -67.16 126.16 28.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.854 ' HB ' HD12 ' A' ' 52' ' ' LEU . 21.8 t -103.32 109.4 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.0 tp -108.11 104.6 14.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.5 ' HB3' HD11 ' A' ' 38' ' ' LEU . 6.3 mt -117.13 122.25 43.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.3 t -153.52 164.65 37.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 62.82 35.55 13.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.5 HD11 ' HB3' ' A' ' 35' ' ' LEU . 60.8 mt -97.21 152.97 18.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 72.6 m -161.69 112.88 1.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 60.28 32.01 20.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.792 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.53 148.2 29.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.697 ' OG1' HG22 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -106.67 131.59 53.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.58 ' HB ' HD12 ' A' ' 62' ' ' LEU . 21.2 t -123.22 147.75 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.23 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.6 mtm-85 -157.2 99.94 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.6 mt -93.27 134.96 34.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -121.28 107.22 12.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 158.98 -121.76 1.08 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.553 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -160.5 69.19 2.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.746 0.308 . . . . 0.0 110.855 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.54 149.51 30.8 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.555 2.17 . . . . 0.0 112.273 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -69.49 -69.28 0.35 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.15 100.03 4.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.854 HD12 ' HB ' ' A' ' 33' ' ' VAL . 38.9 tp -69.09 136.52 52.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.66 100.67 4.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.592 HD13 HD13 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -110.65 127.43 55.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 36.6 p -151.08 163.33 39.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.949 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt 59.05 33.12 22.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.18 144.77 27.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.065 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -147.6 118.66 7.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.8 m 61.03 30.15 19.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 15.0 m -111.4 151.46 28.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -115.62 146.42 41.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.592 HD13 HD13 ' A' ' 54' ' ' LEU . 0.8 OUTLIER -138.9 132.06 29.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.875 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.41 HD23 ' HB3' ' A' ' 82' ' ' ALA . 6.4 mt -141.74 103.9 4.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.8 p -134.2 165.27 25.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.78 -179.98 21.29 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.481 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -64.74 119.7 6.8 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.66 2.24 . . . . 0.0 112.276 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.435 HG22 ' N ' ' A' ' 68' ' ' SER . 12.3 p -60.8 156.35 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.435 ' N ' HG22 ' A' ' 67' ' ' VAL . 0.3 OUTLIER -71.15 -49.6 42.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.952 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.08 -77.78 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.016 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.3 m -164.04 -179.97 6.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.996 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.774 HG21 HG11 ' A' ' 83' ' ' VAL . 24.3 t -123.67 158.66 29.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.487 ' N ' HG12 ' A' ' 71' ' ' VAL . 17.4 t80 -131.85 125.77 32.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.45 ' CD1' HD13 ' A' ' 81' ' ' LEU . 5.0 tp -121.23 136.0 55.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.818 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -161.77 143.38 11.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 61.74 39.93 13.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 76.8 m -116.56 148.6 40.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.6 t -160.43 140.36 11.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 59.98 30.61 20.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.943 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.418 ' HB2' HG23 ' A' ' 96' ' ' THR . 22.5 m -112.65 168.64 9.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.836 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 22.5 t -132.25 91.57 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.06 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.45 HD13 ' CD1' ' A' ' 73' ' ' LEU . 1.3 tp -88.33 142.15 27.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.41 ' HB3' HD23 ' A' ' 63' ' ' LEU . . . -146.67 99.75 3.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.774 HG11 HG21 ' A' ' 71' ' ' VAL . 9.9 p -158.22 122.47 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.044 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.55 124.63 25.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.993 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.2 p -141.78 179.98 6.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.981 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.478 ' OE1' HD21 ' A' ' 135' ' ' LEU . 0.1 OUTLIER -92.69 -49.72 5.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.79 112.38 14.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.572 HD22 HD11 ' A' ' 100' ' ' LEU . 21.9 tp -90.48 124.22 34.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -117.28 115.45 25.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.468 HG22 ' N ' ' A' ' 91' ' ' HIS . 28.3 mt -119.64 158.39 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.468 ' N ' HG22 ' A' ' 90' ' ' ILE . 5.2 t60 -165.72 136.96 3.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.036 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 57.65 31.01 19.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 84.6 m -103.94 150.64 24.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.1 ptmm? -164.45 139.63 5.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.3 t0 59.78 38.48 21.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.418 HG23 ' HB2' ' A' ' 79' ' ' CYS . 3.2 m -118.61 101.36 8.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -71.82 102.37 2.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.86 HG22 HD22 ' A' ' 100' ' ' LEU . 4.2 mt -96.65 137.86 23.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.009 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.595 ' CZ ' HD11 ' A' ' 170' ' ' ILE . 26.1 m-85 -126.7 91.76 3.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.935 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.86 HD22 HG22 ' A' ' 98' ' ' ILE . 2.4 pt? -140.22 -179.96 6.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.931 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -136.08 98.16 3.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.2 m -81.17 133.02 30.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 68.5 p -97.7 -30.91 12.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 65.1 m -92.88 -77.01 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.028 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 43.7 mtt180 -161.22 179.98 7.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.031 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -134.38 138.81 45.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.029 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 22.9 mt -121.32 139.43 48.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.194 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.3 m -144.82 138.67 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.053 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -137.18 133.4 35.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.7 t70 53.55 28.93 8.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 87.5 m -90.95 146.14 24.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.91 126.66 6.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.13 32.06 36.74 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.534 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 24.3 mm -90.12 148.01 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.752 ' HG2' HD13 ' A' ' 163' ' ' LEU . 0.3 OUTLIER -115.47 111.98 21.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -93.5 129.0 39.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -151.98 145.09 17.33 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.062 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -56.12 171.38 0.84 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.471 2.114 . . . . 0.0 112.24 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.447 ' CE2' ' HB2' ' A' ' 121' ' ' TRP . 68.5 t80 -89.57 142.98 27.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.759 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.7 p -137.55 104.27 5.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.447 ' HB2' ' CE2' ' A' ' 119' ' ' TYR . 0.0 OUTLIER -178.56 123.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 179.865 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.615 ' HA ' HD13 ' A' ' 126' ' ' ILE . 0.9 OUTLIER -144.63 154.05 42.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.995 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -172.47 163.69 3.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -51.55 -27.65 26.02 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.646 2.23 . . . . 0.0 112.499 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.1 30.79 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.615 HD13 ' HA ' ' A' ' 122' ' ' SER . 1.0 OUTLIER -80.97 -43.86 20.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.137 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.474 ' N ' HG23 ' A' ' 126' ' ' ILE . 0.2 OUTLIER -59.58 -34.22 72.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.953 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -67.99 -30.63 69.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.961 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -77.06 -58.43 3.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.443 ' CZ ' ' HG2' ' A' ' 137' ' ' ARG . 27.8 m-85 -58.98 -34.98 72.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -65.3 -38.18 89.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.4 m -68.41 -52.58 31.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 14.8 p -68.19 -39.14 82.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.06 28.06 32.18 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.478 HD21 ' OE1' ' A' ' 86' ' ' GLN . 5.7 mt -92.45 168.68 11.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.774 0.321 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.3 144.46 45.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.443 ' HG2' ' CZ ' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -107.41 32.07 4.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.61 -44.67 1.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.814 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 47.8 mttm -77.13 91.8 3.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -82.07 162.42 22.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.815 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -175.79 38.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.846 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 41.7 p-90 -93.76 -13.32 27.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.39 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -75.41 -31.73 60.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.909 0.385 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -91.38 105.55 17.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.42 ' HB ' ' CZ2' ' A' ' 160' ' ' TRP . 21.6 t -121.4 139.84 47.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.29 179.29 4.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -157.07 114.36 3.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -111.56 31.03 6.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -162.31 96.48 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.761 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -92.43 129.09 38.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.19 -24.97 63.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.014 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . 64.09 81.36 0.21 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.082 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.34 -47.44 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -162.14 -57.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 4.3 ptp -169.65 -178.59 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . 60.68 -169.37 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 4.0 m -141.94 89.37 8.92 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.803 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.52 63.46 1.65 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.507 2.138 . . . . 0.0 112.366 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -120.31 -48.82 2.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.817 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.42 ' CZ2' ' HB ' ' A' ' 145' ' ' VAL . 65.5 p-90 -117.8 148.51 42.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.71 168.29 16.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 35.8 mt -111.26 135.03 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.051 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.752 HD13 ' HG2' ' A' ' 115' ' ' GLN . 13.5 tp -63.17 136.2 96.58 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -73.61 -168.71 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.529 2.152 . . . . 0.0 112.314 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -97.47 39.63 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -125.57 -44.71 1.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.689 ' O ' HD21 ' A' ' 163' ' ' LEU . 3.0 mm-40 -104.89 31.82 4.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.984 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -77.3 -66.14 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -79.72 84.29 5.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 170' ' ' ILE . . . . . 0.595 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 1.8 mp -71.14 137.89 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -76.33 99.49 4.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 172' ' ' TRP . . . . . . . . . . . . . 53.1 m95 -83.65 98.22 9.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 60.21 177.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 1.5 m -144.77 -64.46 0.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 62.85 148.5 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.545 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.44 119.39 6.11 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.554 2.169 . . . . 0.0 112.324 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.48 -44.39 1.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.2 p -147.86 -47.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.405 -1.219 . . . . 0.0 112.492 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.245 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.8 p -156.55 -178.48 7.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.84 0.352 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.1 m -91.53 141.34 28.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.08 -163.4 29.13 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.482 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.3 75.29 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.353 . . . . 0.0 110.927 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -177.02 -62.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.64 77.89 0.31 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.51 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.48 -40.04 23.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.793 0.33 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -111.71 -177.69 3.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.2 t 65.52 85.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.086 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.88 124.49 35.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -143.72 175.53 23.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.481 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.673 ' CD2' HD13 ' A' ' 21' ' ' LEU . 6.8 m-85 -134.52 121.74 21.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.772 0.32 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.3 m -139.3 170.43 15.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.1 m120 62.6 39.07 11.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mt -129.59 134.51 47.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -135.96 131.25 34.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.65 32.97 20.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -116.04 171.87 7.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.435 ' O ' HD23 ' A' ' 21' ' ' LEU . 21.4 t -125.17 142.99 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.673 HD13 ' CD2' ' A' ' 13' ' ' PHE . 10.5 mt -133.22 137.33 46.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.943 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -139.15 113.2 8.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt -115.74 127.45 55.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.74 176.23 6.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.11 -31.42 72.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.7 m -76.79 -33.76 58.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -73.44 -33.33 64.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 mt -92.62 -49.76 5.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 59.19 40.58 21.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.95 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 60.21 81.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.98 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -138.09 -179.0 5.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -78.29 141.2 38.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.776 ' HB ' HD12 ' A' ' 52' ' ' LEU . 21.5 t -117.61 109.33 27.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.158 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.1 tp -118.38 136.83 53.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.522 ' HB2' HD12 ' A' ' 54' ' ' LEU . 4.9 mt -140.13 140.21 35.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 t -163.41 157.29 19.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 61.01 39.9 15.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.434 HD12 ' HB3' ' A' ' 35' ' ' LEU . 82.9 mt -112.13 133.97 53.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.99 116.42 13.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.796 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 60.52 33.57 20.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.1 t -106.2 113.97 27.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.11 122.79 25.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -118.68 118.66 58.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 37.1 mtt180 -123.32 101.91 7.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.712 HD12 ' HB2' ' A' ' 64' ' ' CYS . 3.2 mt -95.26 156.39 16.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.445 ' CE1' ' CH2' ' A' ' 121' ' ' TRP . 61.6 m-85 -146.44 104.78 3.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 163.4 -130.55 2.25 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.505 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -155.49 82.26 3.84 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 120.651 0.263 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.89 144.27 52.8 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.576 2.184 . . . . 0.0 112.335 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.52 -58.77 7.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.824 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.03 99.97 3.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.776 HD12 ' HB ' ' A' ' 33' ' ' VAL . 13.2 tp -70.03 146.38 51.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.797 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -152.72 135.64 15.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.972 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.8 HD22 HD22 ' A' ' 62' ' ' LEU . 47.6 tp -143.26 126.44 16.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.741 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.1 p -149.75 161.92 41.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt 59.62 31.41 20.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.57 143.71 29.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.058 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -146.58 122.46 10.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 m 60.18 31.17 20.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 55.7 m -108.71 163.32 13.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -124.67 117.4 24.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.8 HD22 HD22 ' A' ' 54' ' ' LEU . 16.3 tp -106.09 123.79 48.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.95 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.6 mt -136.37 111.83 9.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.712 ' HB2' HD12 ' A' ' 45' ' ' LEU . 52.1 t -143.86 156.12 44.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.09 -179.88 17.69 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.406 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.574 ' HB2' HD12 ' A' ' 135' ' ' LEU . 16.1 Cg_endo -57.26 114.39 1.92 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.674 2.249 . . . . 0.0 112.175 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.489 HG22 ' N ' ' A' ' 68' ' ' SER . 12.2 p -57.53 158.53 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.206 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.489 ' N ' HG22 ' A' ' 67' ' ' VAL . 10.1 t -63.17 -53.65 49.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.2 -78.01 0.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.077 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.0 m -149.02 -179.99 7.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.08 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.564 HG22 ' HB3' ' A' ' 52' ' ' LEU . 21.9 t -127.46 159.04 38.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.488 ' N ' HG12 ' A' ' 71' ' ' VAL . 2.0 t80 -127.36 139.05 53.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.79 HD13 HD13 ' A' ' 81' ' ' LEU . 4.3 tp -132.16 132.74 43.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -156.54 135.97 12.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.064 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 62.89 40.13 9.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.051 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.2 m -107.6 133.72 51.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.818 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -149.52 139.05 21.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 59.2 30.29 20.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 84.6 m -115.07 159.53 20.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.17 91.86 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.838 HD21 HG22 ' A' ' 83' ' ' VAL . 8.5 tt -86.85 149.91 24.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.962 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -154.64 97.91 2.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.838 HG22 HD21 ' A' ' 81' ' ' LEU . 5.3 m -155.01 120.6 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.161 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.417 ' O ' HG12 ' A' ' 67' ' ' VAL . . . -68.94 144.34 54.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.055 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.416 ' HB3' HG12 ' A' ' 67' ' ' VAL . 27.6 p -168.66 160.14 10.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.957 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -72.33 -37.57 68.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -136.22 153.31 51.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.672 HD22 HD11 ' A' ' 100' ' ' LEU . 16.7 tp -132.18 154.86 49.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -144.69 114.74 7.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.487 HG22 ' N ' ' A' ' 91' ' ' HIS . 19.3 mt -118.33 158.6 19.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.074 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.487 ' N ' HG22 ' A' ' 90' ' ' ILE . 21.7 t-80 -166.24 145.09 5.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.988 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 51.09 28.23 3.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.491 ' O ' HD11 ' A' ' 114' ' ' ILE . 47.6 m -102.59 135.02 44.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -144.71 131.67 20.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 60.1 39.99 18.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.011 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.0 m -119.5 113.87 21.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 -72.17 145.32 48.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.062 HG22 HD22 ' A' ' 100' ' ' LEU . 20.7 mt -138.98 109.26 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.198 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.596 ' CZ ' HD11 ' A' ' 170' ' ' ILE . 63.7 m-85 -103.69 93.56 4.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 1.062 HD22 HG22 ' A' ' 98' ' ' ILE . 1.8 pt? -143.13 171.96 13.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -124.01 105.19 9.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 15.1 m -91.57 138.46 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 46.1 p -109.52 -31.38 7.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.73 -74.3 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.7 ptp85 -176.33 153.79 1.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.643 ' HB3' HG13 ' A' ' 145' ' ' VAL . . . -105.53 147.54 28.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.081 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 23.6 mm -119.14 130.51 73.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 29.1 m -132.84 130.6 58.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.081 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -140.23 126.17 19.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 61.26 31.58 19.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 56.3 m -108.69 155.85 20.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 41.4 m -159.37 138.07 10.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.951 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 69.74 30.71 70.44 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.474 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.491 HD11 ' O ' ' A' ' 93' ' ' THR . 29.7 mm -83.41 158.19 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.786 0.327 . . . . 0.0 111.186 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.472 ' N ' HG22 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -122.18 123.17 40.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -115.25 118.82 34.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -148.69 152.74 38.32 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.31 169.15 0.33 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.611 2.208 . . . . 0.0 112.297 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.441 ' CE2' ' HB2' ' A' ' 121' ' ' TRP . 74.4 t80 -82.71 143.56 30.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 4.9 p -138.4 110.25 7.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.445 ' CH2' ' CE1' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -177.69 91.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.82 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 68.4 m -85.48 115.07 22.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.06 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.455 ' CG ' ' HD2' ' A' ' 124' ' ' PRO . 0.1 OUTLIER -134.09 152.82 79.08 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.737 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.455 ' HD2' ' CG ' ' A' ' 123' ' ' TYR . 29.7 Cg_endo -63.31 -25.76 71.64 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.511 2.14 . . . . 0.0 112.317 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -107.57 40.07 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.828 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -89.3 -34.19 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.209 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -59.57 -55.71 31.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.23 -31.38 70.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.59 -48.69 80.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.809 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -68.11 -36.46 79.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -68.19 -41.57 81.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.8 m -74.89 -34.9 62.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.955 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 44.2 p -65.11 -32.69 74.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.56 31.13 41.97 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.548 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.574 HD12 ' HB2' ' A' ' 66' ' ' PRO . 19.7 mt -102.51 -178.2 3.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.352 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.34 122.84 41.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.812 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -82.44 -33.61 28.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.14 -31.65 70.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.964 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -76.72 115.57 16.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -135.12 94.5 3.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -141.14 82.27 1.82 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 52.1 p-90 -103.24 34.19 3.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -117.09 -44.74 2.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -74.02 109.87 7.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.643 HG13 ' HB3' ' A' ' 106' ' ' ALA . 21.5 t -121.03 157.67 24.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ASP . . . . . 0.457 ' N ' HG12 ' A' ' 145' ' ' VAL . 0.5 OUTLIER -105.47 110.99 23.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.11 120.53 34.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -98.66 32.75 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -165.18 70.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.768 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.81 106.27 18.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 15.0 mt -79.7 -59.9 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -96.53 136.7 36.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -84.36 93.16 8.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' ASP . . . . . 0.455 ' OD1' ' HB3' ' A' ' 156' ' ' ALA . 2.4 p30 -154.67 25.81 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.22 27.43 6.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.455 ' HB3' ' OD1' ' A' ' 154' ' ' ASP . . . -154.01 124.13 6.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.39 121.63 45.58 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -77.18 59.12 6.46 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.485 2.124 . . . . 0.0 112.388 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -128.8 -54.23 1.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 62.0 p-90 -94.93 162.59 13.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.51 171.9 16.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 33.1 mt -112.88 139.33 38.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.083 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.626 HD23 ' HG2' ' A' ' 168' ' ' ARG . 9.4 tp -71.78 136.07 83.04 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.758 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.69 -174.41 0.71 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.442 2.094 . . . . 0.0 112.282 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -98.49 28.08 4.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.962 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -120.76 -38.25 2.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.042 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.587 ' O ' HD21 ' A' ' 163' ' ' LEU . 5.6 mm-40 -97.11 36.12 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 168' ' ' ARG . . . . . 0.626 ' HG2' HD23 ' A' ' 163' ' ' LEU . 18.9 mtp180 -105.4 30.95 5.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.867 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -136.71 75.21 1.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 170' ' ' ILE . . . . . 0.596 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 3.3 mp -78.73 147.15 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.093 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -99.82 118.69 36.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 172' ' ' TRP . . . . . 0.542 ' CH2' HG21 ' A' ' 170' ' ' ILE . 19.1 m95 -98.48 33.69 2.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.47 164.78 11.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.995 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 53.4 p -166.2 118.58 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.819 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -102.06 105.88 2.89 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.555 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -51.18 -42.32 54.11 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.473 2.115 . . . . 0.0 112.366 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 3.3 m -169.24 -50.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 3.5 m -65.41 -31.24 72.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.092 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.45 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.165 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 60.39 174.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.98 133.67 43.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.81 -178.44 52.19 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 m 60.31 87.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.348 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.7 p -146.11 137.37 24.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.03 -63.09 0.16 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.447 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 86.8 p -80.97 -31.19 34.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.816 0.341 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -86.83 -177.98 6.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.2 t 63.93 137.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.092 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -176.69 151.3 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -153.14 156.39 26.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -135.38 130.81 35.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.851 0.357 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.0 p -165.05 176.76 8.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 60.62 36.9 19.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.411 ' HB2' HD23 ' A' ' 38' ' ' LEU . 18.2 mt -117.24 160.06 21.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -148.31 121.73 9.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 m 60.86 37.14 18.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -112.93 155.09 25.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.6 t -122.53 119.32 57.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.098 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.804 HD12 HG22 ' A' ' 43' ' ' VAL . 13.7 mt -102.49 165.3 11.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -162.54 116.52 1.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.467 ' HD2' HD22 ' A' ' 45' ' ' LEU . 41.9 mttt -116.8 158.93 23.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.812 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.17 171.82 7.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.806 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.59 -30.98 72.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.119 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.93 -33.42 74.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.65 -53.41 9.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.56 -74.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 60.87 55.77 3.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.72 85.84 0.11 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.36 170.65 20.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -85.54 150.73 24.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.76 132.73 65.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.063 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.4 tp -124.93 125.04 43.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mt -137.28 123.49 20.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 t -155.47 168.59 26.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.0 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 61.03 39.93 15.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.411 HD23 ' HB2' ' A' ' 16' ' ' LEU . 1.1 mt -118.75 139.45 51.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.6 m -133.38 120.24 20.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 60.54 31.74 20.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.773 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.0 t -99.47 168.05 10.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.684 HG23 ' HB2' ' A' ' 61' ' ' LYS . 0.7 OUTLIER -136.82 137.25 39.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.804 HG22 HD12 ' A' ' 21' ' ' LEU . 21.3 t -136.73 141.33 41.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.165 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -140.4 117.71 11.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.467 HD22 ' HD2' ' A' ' 23' ' ' LYS . 13.2 mt -107.77 126.04 52.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -107.3 113.73 27.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 147.16 -121.61 1.43 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -165.21 87.75 1.0 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.702 0.287 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 170.01 17.47 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.591 2.194 . . . . 0.0 112.342 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -84.27 -54.72 4.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.3 m -146.01 122.47 11.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.658 HD21 ' CD2' ' A' ' 62' ' ' LEU . 58.4 tp -89.1 133.39 34.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.64 116.5 17.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.6 tp -132.61 125.9 31.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.5 p -149.32 157.58 43.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.922 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mttt 60.22 36.88 20.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.06 140.05 30.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.048 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.1 m80 -133.59 106.73 7.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.1 m 60.19 29.96 19.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 86.4 m -95.42 152.79 18.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.684 ' HB2' HG23 ' A' ' 42' ' ' THR . 70.0 mttt -120.49 138.21 53.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.85 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.701 HD12 ' HB ' ' A' ' 43' ' ' VAL . 0.7 OUTLIER -134.93 128.16 31.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.439 HD21 ' CZ3' ' A' ' 172' ' ' TRP . 1.6 mt -135.95 99.91 4.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.755 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 21.5 p -130.22 170.41 14.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.98 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.441 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -72.34 -179.95 35.21 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.436 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.426 ' HG3' ' CD1' ' A' ' 130' ' ' PHE . 36.8 Cg_endo -65.7 116.84 4.16 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.507 2.138 . . . . 0.0 112.295 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.481 HG22 ' N ' ' A' ' 68' ' ' SER . 11.0 p -59.97 158.58 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.481 ' N ' HG22 ' A' ' 67' ' ' VAL . 1.2 t -64.58 -54.27 34.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -104.62 -79.21 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.059 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.5 m -158.73 -179.91 8.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.008 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.958 HG21 HG11 ' A' ' 83' ' ' VAL . 22.0 t -116.09 159.22 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.491 ' N ' HG12 ' A' ' 71' ' ' VAL . 16.6 m-85 -130.23 112.02 12.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.48 HD13 HD22 ' A' ' 81' ' ' LEU . 1.3 tp -113.41 142.47 45.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.787 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -167.15 144.7 4.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.952 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 61.51 40.05 14.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 54.3 m -108.92 146.32 33.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.5 t -146.98 124.65 11.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.96 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.7 31.12 20.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.0 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.569 ' HB2' HG23 ' A' ' 96' ' ' THR . 76.5 m -101.75 160.81 14.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.51 89.99 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.552 ' HB3' HG23 ' A' ' 98' ' ' ILE . 17.1 tp -81.17 125.94 30.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.935 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 62' ' ' LEU . . . -123.71 104.78 9.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.958 HG11 HG21 ' A' ' 71' ' ' VAL . 10.9 p -169.36 120.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.06 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.46 122.62 24.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.7 p -143.84 178.0 8.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.995 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.49 ' HG3' HD22 ' A' ' 135' ' ' LEU . 32.0 mt-30 -92.49 -30.56 15.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -144.55 155.29 43.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.55 HD22 HD13 ' A' ' 100' ' ' LEU . 57.3 tp -148.09 119.9 8.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -103.82 107.03 17.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.036 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.9 mt -102.26 147.23 9.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -153.86 137.61 16.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.058 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.6 m 57.51 30.64 19.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.482 ' O ' HD11 ' A' ' 114' ' ' ILE . 32.4 m -105.92 135.39 47.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.6 ptpt -147.4 138.17 23.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 57.33 36.67 27.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.569 HG23 ' HB2' ' A' ' 79' ' ' CYS . 87.7 m -120.25 116.59 25.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -75.01 145.23 42.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.744 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.063 HG22 HD22 ' A' ' 100' ' ' LEU . 20.4 mt -142.25 104.1 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.15 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.615 ' CZ ' HD13 ' A' ' 163' ' ' LEU . 39.5 m-85 -97.68 100.26 11.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.823 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 1.063 HD22 HG22 ' A' ' 98' ' ' ILE . 2.5 pt? -145.78 169.5 18.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -115.68 89.91 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.838 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.527 ' O ' HG23 ' A' ' 102' ' ' VAL . 26.8 m -82.41 115.37 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.164 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 34.0 p -78.24 -30.27 48.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -100.65 -76.62 0.55 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.2 ptt85 -174.78 177.97 1.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -134.08 147.27 50.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 29.1 mt -107.03 147.61 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.569 HG22 ' O ' ' A' ' 146' ' ' ASP . 15.5 m -145.46 119.74 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.163 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -126.65 130.8 51.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 59.56 29.72 19.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 14.3 m -106.24 163.94 12.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.5 m -167.71 130.79 1.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.01 28.13 50.9 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.525 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.482 HD11 ' O ' ' A' ' 93' ' ' THR . 26.7 mm -83.3 139.46 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.803 0.335 . . . . 0.0 111.082 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.94 116.81 31.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -102.61 125.17 49.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -144.66 149.18 42.58 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.418 ' HD3' ' CE3' ' A' ' 142' ' ' TRP . 45.4 Cg_exo -55.95 -168.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.597 2.198 . . . . 0.0 112.247 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -111.42 120.18 41.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.833 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 3.3 t -101.85 -29.21 11.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.423 ' CD1' HD22 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -57.42 99.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.009 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.662 ' HA ' HD13 ' A' ' 126' ' ' ILE . 1.1 m -139.75 174.25 10.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -154.7 164.69 20.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -50.91 -27.44 20.84 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.545 2.163 . . . . 0.0 112.317 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -124.66 62.82 1.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.662 HD13 ' HA ' ' A' ' 122' ' ' SER . 0.5 OUTLIER -109.62 -27.98 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.74 -31.33 71.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -62.75 -43.01 99.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.86 -48.33 82.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.426 ' CD1' ' HG3' ' A' ' 66' ' ' PRO . 12.6 m-85 -58.81 -32.08 69.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.48 -37.42 74.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.8 m -63.12 -31.62 72.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.01 -44.78 10.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.63 31.05 5.91 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.439 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.49 HD22 ' HG3' ' A' ' 86' ' ' GLN . 65.5 mt -89.15 152.39 21.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.804 0.335 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.11 128.09 33.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -97.11 -37.97 9.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 24.5 t -62.56 -34.45 76.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -73.59 161.6 30.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -176.16 85.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.837 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -104.25 52.18 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' TRP . . . . . 0.418 ' CE3' ' HD3' ' A' ' 118' ' ' PRO . 39.9 p-90 -77.83 -27.79 50.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.072 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -60.43 -48.26 82.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -75.02 146.37 41.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.992 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.413 ' HB ' ' CE2' ' A' ' 160' ' ' TRP . 21.6 t -152.44 139.04 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ASP . . . . . 0.569 ' O ' HG22 ' A' ' 108' ' ' VAL . 0.3 OUTLIER -86.08 170.35 12.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.817 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -169.92 132.04 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.945 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -114.78 31.38 6.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -122.08 -43.43 2.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 61.4 t-105 -119.87 118.11 29.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.86 104.78 9.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -111.21 175.23 5.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.069 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -116.74 -40.51 3.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -105.22 -54.56 2.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 16.8 mmt -73.69 171.09 13.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -93.68 -167.32 1.67 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.046 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 4.3 t -104.33 90.19 3.05 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -68.97 63.63 1.34 Allowed 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.515 2.143 . . . . 0.0 112.24 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -131.52 -53.46 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.413 ' CE2' ' HB ' ' A' ' 145' ' ' VAL . 68.3 p-90 -105.58 124.81 50.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 1.9 m -106.76 170.3 8.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' ILE . . . . . 0.48 HG22 ' N ' ' A' ' 163' ' ' LEU . 29.4 mt -106.35 159.06 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.056 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.615 HD13 ' CZ ' ' A' ' 99' ' ' PHE . 1.8 tt -98.68 135.17 21.13 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 164' ' ' PRO . . . . . 0.521 ' O ' HD23 ' A' ' 163' ' ' LEU . 72.8 Cg_endo -74.93 178.93 6.58 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.51 2.14 . . . . 0.0 112.377 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -81.75 -29.11 32.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.8 -30.82 70.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.96 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.469 ' HB2' HD21 ' A' ' 163' ' ' LEU . 58.5 mm-40 -96.61 -22.14 17.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.217 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.72 -30.15 42.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.083 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -73.73 123.47 24.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 29.1 mt -138.79 150.95 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -70.63 112.16 6.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 172' ' ' TRP . . . . . 0.439 ' CZ3' HD21 ' A' ' 63' ' ' LEU . 22.7 m95 -105.87 111.17 23.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -76.06 144.54 40.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 18.1 t -167.97 145.39 4.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 61.26 156.12 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.49 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.64 -172.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.553 2.169 . . . . 0.0 112.257 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 44.4 t -128.16 32.51 4.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 65.4 m -128.7 157.1 42.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.085 0 CA-C-O 118.301 -1.277 . . . . 0.0 112.456 179.963 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m -104.58 -37.84 6.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.9 m -77.73 -69.35 0.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.85 -28.71 12.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.457 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.53 179.18 7.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.753 0.311 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.7 m -82.99 -40.62 19.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.67 -130.84 6.66 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.7 t -156.8 153.0 27.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.813 0.339 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 60.18 99.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.4 m -131.71 140.9 47.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.9 m -144.93 65.35 1.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.29 174.75 40.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.549 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -144.08 113.77 7.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.0 p -144.93 175.84 9.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.969 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 62.89 31.21 16.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.558 HD13 HD21 ' A' ' 21' ' ' LEU . 10.1 mt -116.06 145.35 43.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -145.54 132.66 20.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 m 60.62 31.74 20.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -116.53 173.75 6.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.4 t -128.88 128.16 67.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.558 HD21 HD13 ' A' ' 16' ' ' LEU . 33.6 mt -114.91 141.08 48.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -141.57 156.77 45.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -156.99 157.3 34.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.944 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.2 mmt-85 -116.25 167.32 11.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.807 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.15 -33.54 75.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.3 t -69.73 -33.59 72.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.98 -39.18 66.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 mt -85.44 -69.25 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 60.57 54.48 3.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 61.73 94.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -154.63 174.94 14.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -89.26 125.55 35.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.522 HG11 HD11 ' A' ' 45' ' ' LEU . 21.5 t -105.45 128.49 59.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.124 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.6 tp -126.12 127.16 45.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.741 ' HB2' HD12 ' A' ' 54' ' ' LEU . 3.3 mt -137.62 121.67 17.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.1 t -152.37 167.41 28.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.958 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 59.57 37.72 22.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.2 mt -108.68 148.11 30.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 m -148.52 114.62 5.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 61.36 30.84 19.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.9 t -106.99 135.95 47.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.31 139.06 30.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.48 141.31 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.195 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.557 ' O ' HD23 ' A' ' 45' ' ' LEU . 5.5 mtm180 -155.82 124.43 5.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.557 HD23 ' O ' ' A' ' 44' ' ' ARG . 12.0 mt -129.48 103.63 7.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -89.34 100.02 12.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 174.64 -133.29 2.44 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -151.87 67.95 7.32 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.958 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.42 158.2 5.92 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.518 2.146 . . . . 0.0 112.346 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -78.89 -63.97 1.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.8 m -135.44 106.58 6.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.666 HD21 HD21 ' A' ' 62' ' ' LEU . 30.9 tp -72.48 158.03 36.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.935 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -164.04 126.22 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.741 HD12 ' HB2' ' A' ' 35' ' ' LEU . 5.4 tp -139.16 126.23 21.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 51.1 p -149.38 159.6 44.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt 58.9 32.91 22.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.964 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.01 139.35 38.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -138.75 122.99 18.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m 60.37 30.67 20.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 36.4 m -109.54 155.87 20.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.1 mttt -118.92 141.44 48.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.666 HD21 HD21 ' A' ' 52' ' ' LEU . 32.0 tp -133.01 112.89 12.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.65 HD23 ' CB ' ' A' ' 82' ' ' ALA . 5.9 mt -128.52 103.72 7.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 30.9 p -132.41 166.89 20.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.92 -179.87 16.83 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.423 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -61.39 120.1 7.58 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.699 2.266 . . . . 0.0 112.205 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.483 HG22 ' N ' ' A' ' 68' ' ' SER . 13.1 p -59.2 158.92 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.188 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.483 ' N ' HG22 ' A' ' 67' ' ' VAL . 9.9 t -71.07 -51.56 24.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.962 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.2 p -113.43 -78.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.073 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.8 m -152.83 -179.95 8.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.642 HG13 ' HB3' ' A' ' 52' ' ' LEU . 22.0 t -125.42 158.88 33.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.488 ' N ' HG12 ' A' ' 71' ' ' VAL . 6.9 m-85 -129.24 129.41 44.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.939 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.483 HD13 HD13 ' A' ' 81' ' ' LEU . 6.9 tp -124.75 134.95 52.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.809 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -161.49 141.07 10.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 61.78 39.45 13.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 63.3 m -111.5 135.66 51.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.29 133.18 20.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 60.17 39.0 19.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.665 ' HB2' HG23 ' A' ' 96' ' ' THR . 1.9 m -115.13 159.35 21.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.5 89.99 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.483 HD13 HD13 ' A' ' 73' ' ' LEU . 1.6 tp -80.81 148.82 29.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.65 ' CB ' HD23 ' A' ' 63' ' ' LEU . . . -153.52 97.68 2.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.055 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.462 HG11 HG21 ' A' ' 71' ' ' VAL . 10.5 p -163.92 122.87 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.09 125.23 28.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.972 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.4 ' HB3' ' CG1' ' A' ' 67' ' ' VAL . 31.7 p -142.51 179.95 6.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.937 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -94.45 -42.33 8.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.758 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -126.72 156.34 41.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.746 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.449 HD22 HD11 ' A' ' 100' ' ' LEU . 24.4 tp -139.53 140.35 37.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.016 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.41 ' HD2' ' CE2' ' A' ' 72' ' ' PHE . 0.4 OUTLIER -131.8 103.52 6.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.516 HD12 HG12 ' A' ' 108' ' ' VAL . 3.8 mt -108.42 141.47 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.042 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -152.2 135.99 16.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m 58.09 33.27 23.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.072 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.443 ' O ' HD11 ' A' ' 114' ' ' ILE . 89.1 m -104.75 143.82 32.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.868 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.7 pttm -156.44 135.95 12.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.945 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 58.9 34.58 23.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.961 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.665 HG23 ' HB2' ' A' ' 79' ' ' CYS . 22.6 m -115.42 99.96 7.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.58 130.39 44.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.757 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.627 HG22 HD22 ' A' ' 100' ' ' LEU . 3.8 mt -126.57 134.34 66.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.178 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.608 ' CD2' ' HB3' ' A' ' 117' ' ' ALA . 30.5 m-85 -126.33 102.72 7.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.627 HD22 HG22 ' A' ' 98' ' ' ILE . 2.1 pt? -150.12 169.87 20.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.991 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -126.78 89.95 3.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.798 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 21.6 m -68.3 132.75 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.191 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 p -107.67 29.65 7.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.795 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 m -162.63 -68.98 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.3 169.21 2.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -134.26 157.68 45.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.066 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 32.3 mt -128.26 139.82 50.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.2 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.572 HG23 ' HA ' ' A' ' 147' ' ' ASP . 14.2 m -143.38 122.98 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.056 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -133.69 136.83 44.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.4 t70 61.2 31.42 19.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.822 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 18.2 m -109.99 160.1 16.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.933 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 47.5 m -160.09 136.49 8.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.51 28.55 70.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.495 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.443 HD11 ' O ' ' A' ' 93' ' ' THR . 28.7 mm -78.25 146.85 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.845 0.355 . . . . 0.0 111.055 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.27 133.63 55.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.519 ' CD2' HG21 ' A' ' 145' ' ' VAL . 74.0 m-85 -122.92 121.43 36.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.608 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . . . -127.1 157.84 70.91 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.165 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.454 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 55.4 Cg_endo -70.03 151.81 67.67 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.604 2.203 . . . . 0.0 112.302 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -89.35 124.24 34.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.8 t -140.33 66.34 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.464 ' O ' HD12 ' A' ' 126' ' ' ILE . 0.0 OUTLIER -113.44 90.52 3.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.4 m -92.91 152.04 19.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -151.97 166.34 15.47 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_exo -51.07 -27.29 21.3 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.536 2.157 . . . . 0.0 112.403 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -146.72 87.1 1.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.814 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.464 HD12 ' O ' ' A' ' 121' ' ' TRP . 17.5 tt -109.48 -25.46 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.249 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.92 -48.78 75.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 10.7 mttp -63.99 -37.51 87.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.6 -35.56 79.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -75.57 -37.05 60.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.823 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -63.39 -39.48 94.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.2 m -61.52 -33.98 74.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 19.9 p -87.06 -32.74 19.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.99 31.04 29.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.472 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 45.0 mt -92.43 134.74 34.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -86.78 120.35 27.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.57 -42.86 33.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.0 -36.78 78.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -100.85 122.77 44.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -173.77 171.16 3.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -160.63 84.49 0.69 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.805 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' TRP . . . . . 0.404 ' CZ3' ' OD1' ' A' ' 143' ' ' ASN . 67.0 p-90 -84.99 -22.54 29.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.156 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.404 ' OD1' ' CZ3' ' A' ' 142' ' ' TRP . 25.6 m-20 -82.31 57.53 3.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.945 0.402 . . . . 0.0 110.957 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -170.16 111.89 0.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.811 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.519 HG21 ' CD2' ' A' ' 116' ' ' PHE . 21.3 t -130.28 121.67 51.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.183 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.66 104.05 16.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.798 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.572 ' HA ' HG23 ' A' ' 108' ' ' VAL . 10.5 p-10 -85.03 152.56 23.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -109.3 29.86 7.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.006 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -122.06 -42.12 2.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 57.2 t-105 -107.19 162.64 13.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 3.7 tt -154.06 101.36 2.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -148.63 146.29 28.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.92 -31.38 16.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.979 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -108.73 -43.66 4.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.75 157.45 32.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.817 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -91.07 -174.37 3.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 3.1 m -101.6 94.78 4.54 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -68.41 65.98 1.11 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.485 2.123 . . . . 0.0 112.249 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -149.18 -61.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 62.3 p-90 -95.33 171.14 8.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 1.4 m -154.93 160.37 41.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 27.8 mt -99.39 133.79 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 168' ' ' ARG . 22.6 tp -69.45 124.72 91.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.81 170.29 0.47 Allowed 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.355 2.037 . . . . 0.0 112.26 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -70.08 -42.85 72.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.751 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -59.88 -31.34 69.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.41 ' HB3' HD11 ' A' ' 163' ' ' LEU . 4.4 mm-40 -91.6 -23.72 19.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.065 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 168' ' ' ARG . . . . . 0.504 ' HA ' HD23 ' A' ' 163' ' ' LEU . 4.0 mtm-85 -54.65 -47.6 73.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.873 0.368 . . . . 0.0 111.055 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -73.13 105.53 4.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 170' ' ' ILE . . . . . 0.427 HG22 ' N ' ' A' ' 171' ' ' GLN . 30.7 mt -105.62 155.34 6.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.023 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 171' ' ' GLN . . . . . 0.427 ' N ' HG22 ' A' ' 170' ' ' ILE . 18.8 mm-40 -92.49 99.46 12.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.972 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 172' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -74.85 -70.65 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -70.95 156.04 40.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 78.8 p -104.9 -30.22 9.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 114.21 67.73 0.47 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.554 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.28 -175.81 1.92 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.604 2.202 . . . . 0.0 112.323 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 5.2 m 59.38 162.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.941 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 40.0 p -135.87 136.11 40.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.414 -1.214 . . . . 0.0 112.44 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.7 t 60.31 79.21 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -131.17 -49.74 1.01 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.28 -78.95 0.67 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.531 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.17 172.89 8.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.837 0.351 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 p -129.68 -48.42 1.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.75 152.43 7.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.472 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.551 ' HB3' HG22 ' A' ' 10' ' ' VAL . 3.7 t -82.08 167.08 19.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.752 0.311 . . . . 0.0 110.933 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -99.66 31.4 3.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.551 HG22 ' HB3' ' A' ' 8' ' ' SER . 13.9 m -103.97 78.92 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.8 p -136.71 -46.42 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.013 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.3 -113.13 3.85 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.512 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -137.45 151.76 48.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.892 0.377 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.3 p -169.74 174.31 5.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 61.16 35.25 18.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.481 HD12 HD21 ' A' ' 38' ' ' LEU . 2.7 mt -119.67 148.32 43.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -146.05 125.29 12.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.23 35.38 20.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -113.96 163.5 15.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.55 HG22 ' OG1' ' A' ' 42' ' ' THR . 19.1 t -122.31 109.77 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.077 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.469 HD11 HD13 ' A' ' 16' ' ' LEU . 23.9 mt -93.88 144.59 25.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -140.28 131.18 26.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.617 ' HD2' HD22 ' A' ' 45' ' ' LEU . 18.4 mttm -128.02 179.54 5.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.85 173.48 11.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.16 -31.05 71.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.117 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.67 -32.73 62.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -70.3 -52.2 24.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 mt -60.19 -58.61 7.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.948 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.6 t60 59.99 34.04 21.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 60.17 87.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 -153.19 163.12 40.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.3 132.32 49.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.746 ' HB ' HD12 ' A' ' 52' ' ' LEU . 21.5 t -111.34 123.77 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.137 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.7 tp -129.18 137.3 51.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.514 ' HB3' HD11 ' A' ' 38' ' ' LEU . 3.7 mp -144.65 138.18 27.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.1 t -162.84 167.88 22.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 61.09 38.73 16.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.514 HD11 ' HB3' ' A' ' 35' ' ' LEU . 4.3 mt -112.71 136.99 51.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.63 111.99 12.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.4 t30 59.81 32.03 21.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.001 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.6 t -96.59 136.71 36.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.55 ' OG1' HG22 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -93.81 126.74 39.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.3 t -121.29 126.75 75.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.055 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -136.08 99.94 4.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.814 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.617 HD22 ' HD2' ' A' ' 23' ' ' LYS . 13.1 mt -98.76 140.19 33.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -126.99 131.26 51.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 134.14 -119.69 2.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.504 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -168.5 84.65 0.71 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.785 0.326 . . . . 0.0 110.777 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.27 164.88 34.23 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.531 2.154 . . . . 0.0 112.348 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.81 -69.66 0.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.2 m -136.85 113.99 10.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.0 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.746 HD12 ' HB ' ' A' ' 33' ' ' VAL . 27.8 tp -80.94 140.5 35.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -142.29 118.27 10.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.78 HD13 HD13 ' A' ' 62' ' ' LEU . 2.1 tp -121.0 132.35 54.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.0 p -153.53 155.21 35.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.052 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt 58.95 34.05 23.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.022 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.15 127.86 44.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -128.7 113.4 15.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.0 m 59.84 28.44 17.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.976 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 84.0 m -96.62 167.16 11.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.4 mttm -123.14 146.29 47.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.794 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.78 HD13 HD13 ' A' ' 54' ' ' LEU . 3.2 tt -152.25 125.1 8.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.829 HD23 ' HB3' ' A' ' 82' ' ' ALA . 5.3 mt -138.24 108.67 6.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.839 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.459 ' O ' HG23 ' A' ' 83' ' ' VAL . 49.3 t -130.89 156.95 44.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.991 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.79 -179.81 16.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.411 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.26 112.59 1.28 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.572 2.181 . . . . 0.0 112.223 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.491 HG22 ' N ' ' A' ' 68' ' ' SER . 11.3 p -64.5 158.74 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.491 ' N ' HG22 ' A' ' 67' ' ' VAL . 10.4 t -72.0 -52.97 14.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 p -98.57 -79.51 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.967 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.2 m -165.1 -179.97 6.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.938 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.553 HG13 ' HB3' ' A' ' 52' ' ' LEU . 21.6 t -121.61 157.87 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.464 ' N ' HG12 ' A' ' 71' ' ' VAL . 3.4 t80 -117.61 159.17 23.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.976 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.479 HD13 HD22 ' A' ' 81' ' ' LEU . 2.1 tp -159.34 107.57 1.8 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -142.19 145.78 34.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 63.3 34.22 13.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 95.5 m -107.5 146.47 31.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 66.0 p -154.97 131.76 10.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 59.78 33.32 21.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.949 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.656 ' H ' HG23 ' A' ' 96' ' ' THR . 0.1 OUTLIER -103.4 167.42 9.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.824 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -132.91 92.87 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.543 ' HB3' HG23 ' A' ' 98' ' ' ILE . 9.9 tp -90.66 153.68 20.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.829 ' HB3' HD23 ' A' ' 63' ' ' LEU . . . -157.97 97.26 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 64' ' ' CYS . 12.3 p -165.33 131.92 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.057 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.68 135.03 39.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.07 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.4 p -153.43 147.19 25.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.507 ' HG3' HD21 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -59.93 -41.49 91.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.3 171.12 14.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.993 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.664 HD21 HD11 ' A' ' 90' ' ' ILE . 21.5 tp -151.8 123.0 7.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.6 107.97 15.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.664 HD11 HD21 ' A' ' 88' ' ' LEU . 20.2 mt -112.02 154.15 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.404 ' N ' HG22 ' A' ' 90' ' ' ILE . 71.6 t60 -165.04 138.47 4.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 60.0 m 60.05 35.31 21.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.2 m -113.04 154.34 26.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.22 137.87 3.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.94 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 59.92 39.83 19.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.972 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.656 HG23 ' H ' ' A' ' 79' ' ' CYS . 0.2 OUTLIER -120.38 113.76 20.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.402 HH21 HD11 ' A' ' 163' ' ' LEU . 14.7 mtp180 -75.59 129.33 37.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.77 HG22 HD22 ' A' ' 100' ' ' LEU . 19.9 mt -134.0 120.08 34.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.476 ' CD2' ' HB3' ' A' ' 117' ' ' ALA . 9.7 m-85 -111.96 101.61 9.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.77 HD22 HG22 ' A' ' 98' ' ' ILE . 2.3 pt? -142.57 179.75 6.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -136.74 93.63 2.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.9 m -84.32 132.03 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.7 p -95.6 -31.14 13.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.5 m -89.42 -71.66 0.59 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -176.97 179.15 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.842 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.403 ' HB3' HG12 ' A' ' 145' ' ' VAL . . . -137.41 143.33 41.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 30.4 mm -116.67 135.46 56.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.7 m -141.09 124.09 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.18 133.32 50.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.3 t0 59.99 31.33 20.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 7.8 m -94.4 149.43 21.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.92 124.22 4.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.52 30.69 48.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.481 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.439 HG22 ' N ' ' A' ' 115' ' ' GLN . 27.5 mm -87.87 156.69 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 111.122 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.439 ' N ' HG22 ' A' ' 114' ' ' ILE . 0.1 OUTLIER -128.98 139.86 51.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -130.36 134.86 47.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.582 ' HB1' ' HD3' ' A' ' 168' ' ' ARG . . . -154.15 152.63 26.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.093 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -51.84 157.06 6.09 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.594 2.196 . . . . 0.0 112.275 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.44 ' CZ ' ' HB2' ' A' ' 121' ' ' TRP . 19.5 t80 -63.06 158.34 19.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.971 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -148.67 97.53 2.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.44 ' HB2' ' CZ ' ' A' ' 119' ' ' TYR . 0.0 OUTLIER -173.27 144.8 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.1 m -123.52 155.54 37.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.445 ' CG ' ' HD2' ' A' ' 124' ' ' PRO . 0.1 OUTLIER -160.4 145.61 11.09 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.778 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' A' ' 123' ' ' TYR . 25.8 Cg_endo -62.13 -32.98 83.27 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.498 2.132 . . . . 0.0 112.338 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -121.24 45.21 2.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.81 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.423 HG12 ' CE2' ' A' ' 130' ' ' PHE . 7.7 tt -83.97 -29.74 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.163 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.63 -31.36 68.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.994 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -87.29 -29.57 21.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -58.62 -54.79 43.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.423 ' CE2' HG12 ' A' ' 126' ' ' ILE . 22.5 m-85 -60.18 -45.96 91.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -63.68 -32.82 74.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 26.4 m -62.06 -64.29 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.31 -31.17 68.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.815 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.97 27.42 5.67 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.551 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.507 HD21 ' HG3' ' A' ' 86' ' ' GLN . 92.5 mt -89.91 172.74 8.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.832 0.348 . . . . 0.0 110.852 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.54 155.68 38.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.81 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -106.08 -31.18 8.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.0 t -98.33 30.63 3.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.002 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -138.3 94.99 2.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -107.11 134.77 49.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -142.56 47.27 1.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.803 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' TRP . . . . . 0.407 ' O ' ' CE3' ' A' ' 142' ' ' TRP . 46.1 p-90 -96.78 39.43 1.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.966 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -130.29 -45.96 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.84 107.27 14.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.403 HG12 ' HB3' ' A' ' 106' ' ' ALA . 17.8 m -128.88 142.8 43.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.25 100.44 13.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -86.25 135.66 33.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -106.28 30.99 5.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -133.36 30.83 3.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.48 126.97 31.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 8.7 mt -116.52 35.53 4.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . 59.84 37.65 21.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.172 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -65.26 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -176.56 -71.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 2.1 tmm? -141.19 -51.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -95.78 167.04 11.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.025 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -127.92 135.28 27.25 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.98 60.75 6.23 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.554 2.169 . . . . 0.0 112.304 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -126.61 -51.97 1.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 41.7 p-90 -106.88 175.28 5.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 18.6 m -159.26 176.33 12.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' ILE . . . . . 0.477 HG22 ' N ' ' A' ' 163' ' ' LEU . 21.7 mt -117.3 158.6 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.077 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.521 HD21 ' O ' ' A' ' 167' ' ' GLU . 25.4 tp -101.12 130.14 25.63 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.792 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.72 153.58 18.81 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.419 2.08 . . . . 0.0 112.18 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -30.81 70.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -73.24 -28.41 62.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.521 ' O ' HD21 ' A' ' 163' ' ' LEU . 48.1 mt-10 -97.73 27.62 4.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.018 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 168' ' ' ARG . . . . . 0.582 ' HD3' ' HB1' ' A' ' 117' ' ' ALA . 8.5 mtm180 -102.46 -30.19 11.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.941 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -70.99 93.91 1.04 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.961 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 27.6 mm -102.18 124.64 56.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.35 86.05 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 172' ' ' TRP . . . . . 0.444 ' CZ3' HD21 ' A' ' 63' ' ' LEU . 60.0 m95 -62.22 -35.77 79.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.27 128.79 33.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 12.0 t -123.4 162.45 22.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -164.87 -155.43 8.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.516 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.24 -31.65 18.0 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.572 2.181 . . . . 0.0 112.289 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.04 -45.63 1.26 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 2.0 m 61.65 35.79 16.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.994 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.343 -1.254 . . . . 0.0 112.507 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.29 140.81 45.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.347 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.1 m 60.37 104.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.937 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.79 -82.64 0.48 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.497 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.2 m 60.53 87.48 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.774 0.321 . . . . 0.0 110.836 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.2 m -127.07 176.12 7.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.42 -164.41 34.79 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.448 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.1 t 60.65 167.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.832 0.349 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 21.9 m0 -77.0 94.64 4.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.1 t -126.71 86.34 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.068 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 82.0 m -150.99 110.17 3.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.69 -150.65 7.89 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.425 ' H ' HD23 ' A' ' 35' ' ' LEU . 31.6 m-85 -124.14 137.89 54.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.8 0.333 . . . . 0.0 110.929 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 m -154.06 174.63 14.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.4 m120 60.33 34.48 20.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.8 mt -132.86 140.31 47.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -143.17 150.56 39.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.961 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 m 59.59 32.53 21.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -121.66 168.38 11.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.6 110.31 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.474 HD12 HG22 ' A' ' 43' ' ' VAL . 16.0 mt -91.76 164.46 13.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -163.96 133.2 3.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -129.67 164.75 23.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -120.47 165.98 14.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.42 -43.88 97.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.052 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -66.53 -31.65 72.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -70.76 -40.27 72.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.5 mt -76.45 -61.66 1.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 60.53 43.16 13.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 63.65 78.15 0.3 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.837 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.74 -177.73 4.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -102.45 128.13 49.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -99.62 146.64 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 tp -149.16 102.74 3.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.73 ' HB2' HD12 ' A' ' 54' ' ' LEU . 54.9 mt -116.41 125.22 51.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.7 t -151.89 162.78 40.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.998 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 61.03 38.51 17.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.778 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 mt -120.81 137.78 54.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.88 127.77 23.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.702 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 61.01 30.43 19.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.6 t -115.37 107.37 15.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.434 HG23 ' HB2' ' A' ' 61' ' ' LYS . 3.5 m -69.74 138.26 52.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.474 HG22 HD12 ' A' ' 21' ' ' LEU . 21.5 t -130.85 140.02 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.3 mtt180 -141.05 125.99 18.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.4 mt -117.6 129.78 55.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -113.06 125.87 54.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 133.29 -137.35 9.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -151.8 87.23 4.43 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.721 0.296 . . . . 0.0 110.806 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -73.85 160.94 42.57 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.587 2.191 . . . . 0.0 112.4 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -69.12 -64.3 0.9 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.66 142.2 49.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.817 HD21 HD21 ' A' ' 62' ' ' LEU . 26.0 tp -109.62 122.81 48.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -129.77 115.19 16.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.852 HD13 HD13 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -130.96 128.81 41.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.3 p -150.29 162.52 40.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt 59.24 32.36 21.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.91 121.48 42.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -124.45 123.49 40.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.8 m 60.24 31.52 20.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.947 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 82.1 m -110.11 166.51 10.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.434 ' HB2' HG23 ' A' ' 42' ' ' THR . 25.8 mtpt -123.19 161.6 24.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.852 HD13 HD13 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -155.72 122.47 5.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.973 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.69 HD23 ' HB3' ' A' ' 82' ' ' ALA . 34.4 mt -130.83 99.96 5.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.753 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.428 ' O ' HG23 ' A' ' 83' ' ' VAL . 45.5 t -126.12 154.74 42.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.023 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.453 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -72.31 -179.79 34.79 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.45 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.753 ' HB2' HD12 ' A' ' 135' ' ' LEU . 12.8 Cg_endo -56.38 108.74 0.36 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.641 2.227 . . . . 0.0 112.102 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.487 HG22 ' N ' ' A' ' 68' ' ' SER . 11.9 p -57.36 158.73 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.142 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.487 ' N ' HG22 ' A' ' 67' ' ' VAL . 20.4 m -73.91 -51.25 16.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -102.12 -79.85 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.996 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.84 -179.95 7.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.614 HG13 ' HB3' ' A' ' 52' ' ' LEU . 25.0 t -119.57 157.04 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.086 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.457 ' N ' HG12 ' A' ' 71' ' ' VAL . 7.6 t80 -135.99 132.87 36.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.748 HD13 HD13 ' A' ' 81' ' ' LEU . 2.9 tp -125.43 145.4 50.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -165.48 139.07 4.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 60.85 40.0 16.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.959 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 9.1 m -110.2 148.2 32.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.5 p -159.43 132.59 7.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 59.88 30.47 20.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 t -104.96 160.69 14.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.979 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 30.3 t -125.45 89.95 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.974 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.748 HD13 HD13 ' A' ' 73' ' ' LEU . 7.0 tt -97.31 120.2 37.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.69 ' HB3' HD23 ' A' ' 63' ' ' LEU . . . -125.5 113.39 17.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.008 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.464 HG11 HD23 ' A' ' 52' ' ' LEU . 13.4 p -170.09 139.2 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.63 137.78 34.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.029 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.41 ' HB3' HG12 ' A' ' 67' ' ' VAL . 29.3 p -157.13 172.94 17.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.995 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -89.02 -42.21 11.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -129.1 163.47 25.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.404 HD22 HD11 ' A' ' 100' ' ' LEU . 21.5 tp -147.93 131.7 16.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.408 ' HB3' ' CE2' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -119.76 105.57 11.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.59 HD12 HG12 ' A' ' 108' ' ' VAL . 22.4 mt -103.38 147.23 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.133 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -160.2 132.65 6.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.983 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 m 58.75 29.04 18.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.008 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.443 ' O ' HD11 ' A' ' 114' ' ' ILE . 76.8 m -97.42 133.54 41.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.813 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.6 ptmm? -147.57 133.47 19.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.77 40.06 23.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.058 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.9 m -120.05 111.17 17.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 -80.23 112.12 17.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.514 HG22 HD22 ' A' ' 100' ' ' LEU . 1.4 mp -113.38 113.47 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.683 ' CD2' ' HB3' ' A' ' 117' ' ' ALA . 12.9 m-85 -101.06 92.38 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.798 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.514 HD22 HG22 ' A' ' 98' ' ' ILE . 2.0 pt? -129.44 178.99 6.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.982 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -135.95 90.01 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.795 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 18.7 m -79.57 138.22 20.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.202 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.82 -30.56 8.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.803 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 36.4 m -92.14 -69.9 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.34 177.73 1.45 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.712 ' HB3' HG13 ' A' ' 145' ' ' VAL . . . -136.79 152.44 50.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 21.8 mt -127.73 130.05 70.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.59 HG12 HD12 ' A' ' 90' ' ' ILE . 12.3 m -131.28 131.01 63.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.078 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -139.59 130.96 26.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.1 t0 60.03 31.63 20.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 21.9 m -110.75 155.65 22.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.5 m -155.41 134.38 12.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.963 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 76.75 27.88 60.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.572 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.443 HD11 ' O ' ' A' ' 93' ' ' THR . 26.7 mm -81.23 127.05 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 111.096 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.91 121.9 45.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.96 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -108.27 110.36 21.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.683 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . . . -121.26 146.5 44.76 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.038 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.45 -176.08 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.469 2.113 . . . . 0.0 112.347 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -93.65 101.39 13.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 40.6 p -83.34 -35.45 25.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.988 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.42 106.98 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -119.8 154.41 34.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.848 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.604 ' O ' HG22 ' A' ' 126' ' ' ILE . 0.2 OUTLIER -140.73 156.33 69.0 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.419 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 53.3 Cg_exo -52.45 -53.56 6.68 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.481 2.121 . . . . 0.0 112.276 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.87 38.33 1.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.604 HG22 ' O ' ' A' ' 123' ' ' TYR . 1.1 tp -76.16 -32.68 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.044 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.35 -48.19 81.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -60.26 -31.2 70.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -65.3 -46.9 78.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.956 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -64.59 -37.82 88.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -64.24 -31.6 72.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 18.3 m -60.41 -62.65 1.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 44.4 p -59.97 -34.05 72.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.2 28.09 5.64 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.753 HD12 ' HB2' ' A' ' 66' ' ' PRO . 83.5 mt -90.42 157.4 17.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.831 0.348 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -104.04 133.53 48.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.97 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -102.91 30.31 4.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.69 -61.49 1.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.958 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.44 130.56 35.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -140.85 121.06 13.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -123.54 51.64 1.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 45.2 p-90 -71.56 -31.25 66.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -62.41 -56.13 21.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.51 127.42 32.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.712 HG13 ' HB3' ' A' ' 106' ' ' ALA . 22.1 t -141.43 139.07 32.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -80.5 123.65 28.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.965 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.39 146.41 28.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -116.19 -61.84 1.67 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.781 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -81.98 77.89 8.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.82 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 10.1 t-105 -73.98 -70.51 0.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.976 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.525 HD22 ' N ' ' A' ' 151' ' ' LEU . 3.3 mm? 53.86 88.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.14 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -178.19 -46.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 61.93 30.66 18.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.32 27.35 0.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.034 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 66.8 mtm 58.56 27.22 15.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.061 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -123.93 119.35 29.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.188 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.94 88.31 41.91 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -73.33 61.5 4.19 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.511 2.141 . . . . 0.0 112.414 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -123.75 -41.72 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 32.8 p-90 -118.55 135.27 54.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.836 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 68.6 m -134.57 173.46 11.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 30.7 mm -113.83 139.28 40.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.703 HD21 ' O ' ' A' ' 167' ' ' GLU . 2.8 tp -79.4 138.43 55.52 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -67.86 148.12 76.1 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.447 2.098 . . . . 0.0 112.22 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.24 -27.71 64.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.032 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -70.2 -25.32 63.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.14 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.703 ' O ' HD21 ' A' ' 163' ' ' LEU . 38.4 mt-10 -96.92 28.29 3.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.071 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -105.96 32.14 4.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -129.68 87.08 2.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 3.6 mp -105.67 149.72 8.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -94.16 127.65 40.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 172' ' ' TRP . . . . . 0.474 ' CH2' HD21 ' A' ' 63' ' ' LEU . 74.0 m95 -97.33 -69.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.954 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -97.26 -66.93 0.87 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 41.6 t -177.19 37.81 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 95.21 149.15 25.31 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.458 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.04 161.39 3.43 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.594 2.196 . . . . 0.0 112.312 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 3.6 m -105.6 106.55 17.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.3 m -121.22 111.48 17.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.43 -1.206 . . . . 0.0 112.535 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.125 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -124.16 37.94 4.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.68 144.2 28.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.77 89.78 2.09 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.535 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -144.02 30.1 1.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.787 0.327 . . . . 0.0 110.971 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m 58.92 30.77 20.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.77 109.99 1.14 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.523 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.0 p -172.73 122.65 0.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.433 ' CG ' ' HD2' ' A' ' 31' ' ' ARG . 25.8 t-105 -113.72 90.79 3.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.426 ' O ' HG23 ' A' ' 10' ' ' VAL . 8.3 m -139.28 80.5 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -128.78 108.06 10.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.83 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -118.21 -153.0 9.46 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.535 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -135.25 129.26 33.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.793 0.33 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.0 p -152.73 172.23 17.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 35.9 m120 60.35 37.66 20.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.717 HD13 HD11 ' A' ' 21' ' ' LEU . 3.0 mt -116.06 143.58 45.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -142.69 124.41 15.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.4 m 60.87 37.29 18.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -117.67 168.74 10.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.6 t -134.39 115.54 20.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.717 HD11 HD13 ' A' ' 16' ' ' LEU . 2.0 mt -104.2 156.23 18.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -147.42 111.21 5.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -105.7 179.43 4.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.29 -179.99 7.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -49.46 77.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.7 -33.01 73.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -33.89 67.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.845 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mt -83.3 -43.58 15.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.3 t60 59.71 24.83 13.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.046 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.07 84.08 0.08 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.009 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.433 ' HD2' ' CG ' ' A' ' 9' ' ' TRP . 45.0 mtt-85 -159.59 -178.75 7.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -69.26 149.2 48.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.594 ' HB ' HD12 ' A' ' 52' ' ' LEU . 21.5 t -124.88 158.55 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.48 ' N ' HG12 ' A' ' 33' ' ' VAL . 0.6 OUTLIER -145.55 128.84 16.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.443 HD13 ' CD1' ' A' ' 62' ' ' LEU . 7.2 mt -144.89 118.15 8.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.5 t -152.82 170.21 20.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 60.48 35.25 20.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.499 HD21 HD12 ' A' ' 16' ' ' LEU . 4.3 mt -108.83 133.55 52.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 m -137.48 122.99 19.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 59.36 31.22 20.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.5 t -110.41 163.97 13.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.8 m -128.77 142.99 50.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.18 132.84 66.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.137 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -126.09 100.01 6.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.6 mt -96.9 116.65 29.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.955 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -107.96 100.17 9.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 157.38 -147.73 16.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -142.26 83.84 11.93 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.726 0.298 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.86 172.45 12.72 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.56 2.173 . . . . 0.0 112.34 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -82.32 -66.76 0.85 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.969 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.17 108.65 8.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.997 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.688 ' HB3' HG22 ' A' ' 71' ' ' VAL . 41.3 tp -83.23 146.73 28.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.71 131.02 23.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.661 HD23 ' CD1' ' A' ' 73' ' ' LEU . 11.3 tp -142.37 103.3 4.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.6 p -133.49 161.97 33.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp 60.37 39.56 18.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.18 151.27 23.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.046 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -149.01 112.87 5.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 m 60.91 37.14 18.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 16.5 m -116.25 143.07 46.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.968 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -107.9 136.78 47.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.619 HD13 HD13 ' A' ' 54' ' ' LEU . 2.4 tt -132.97 134.32 44.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.971 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.697 HD21 ' CZ3' ' A' ' 172' ' ' TRP . 1.0 OUTLIER -133.59 120.14 20.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.813 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 51.5 t -142.83 155.82 44.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.35 -179.86 38.54 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.441 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.749 ' HB2' HD12 ' A' ' 135' ' ' LEU . 15.3 Cg_endo -57.11 106.29 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.751 2.301 . . . . 0.0 112.163 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.524 ' O ' HD11 ' A' ' 135' ' ' LEU . 11.9 p -58.17 158.82 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.266 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.494 ' N ' HG22 ' A' ' 67' ' ' VAL . 22.4 t -69.45 -54.89 12.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.23 -77.15 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.2 m -164.93 179.98 6.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.688 HG22 ' HB3' ' A' ' 52' ' ' LEU . 21.4 t -127.19 144.47 37.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -111.99 146.19 38.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.661 ' CD1' HD23 ' A' ' 54' ' ' LEU . 2.2 tp -142.9 135.09 27.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -160.44 148.3 16.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.025 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.02 39.74 19.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 73.9 m -118.19 131.78 56.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.8 p -138.96 139.09 37.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 59.86 30.93 20.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.69 ' HB2' HG23 ' A' ' 96' ' ' THR . 77.6 m -106.3 162.59 13.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.59 90.36 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.078 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.548 HD22 HD13 ' A' ' 73' ' ' LEU . 33.3 tp -87.21 152.77 22.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -156.53 99.49 1.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.044 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.596 HG11 HG21 ' A' ' 71' ' ' VAL . 11.3 p -159.23 122.74 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.046 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.23 138.71 57.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.467 ' HB3' HG12 ' A' ' 67' ' ' VAL . 28.8 p -163.89 154.72 15.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.414 ' HG3' HD22 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -67.73 -39.31 84.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -132.08 146.95 52.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.924 HD22 HD11 ' A' ' 100' ' ' LEU . 49.9 tp -128.6 105.58 8.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 70.8 mtm-85 -93.83 117.53 30.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.628 HD11 ' CD2' ' A' ' 88' ' ' LEU . 4.4 mt -125.15 137.48 57.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -150.64 134.91 17.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.94 36.51 12.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 32.1 m -110.22 146.12 36.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -158.11 133.72 8.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.988 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.4 t0 59.24 38.24 23.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.69 HG23 ' HB2' ' A' ' 79' ' ' CYS . 32.0 m -121.58 102.89 8.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.984 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -67.44 141.14 57.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.974 HG22 HD22 ' A' ' 100' ' ' LEU . 24.4 mt -138.81 116.45 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.732 ' CZ ' HD22 ' A' ' 163' ' ' LEU . 5.3 m-85 -104.37 95.82 6.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.974 HD22 HG22 ' A' ' 98' ' ' ILE . 2.3 pt? -142.47 172.19 13.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -124.11 102.92 7.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 8.1 m -89.42 121.27 39.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 47.0 p -77.53 -32.0 53.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 m -102.28 -71.58 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -174.73 167.14 3.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.482 ' HB3' HG13 ' A' ' 145' ' ' VAL . . . -111.34 126.29 54.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 21.3 mt -88.89 122.41 40.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.074 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 146' ' ' ASP . 19.8 m -127.82 156.74 39.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -168.25 126.63 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.919 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 60.74 31.57 20.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.603 ' SG ' HG22 ' A' ' 90' ' ' ILE . 85.5 m -114.34 128.51 56.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.83 139.53 47.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.36 28.42 57.88 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 25.0 mm -85.01 147.76 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.834 0.349 . . . . 0.0 111.11 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -125.18 116.67 22.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -99.38 165.73 11.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.945 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -169.97 152.38 4.39 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.09 145.51 49.7 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.599 2.199 . . . . 0.0 112.284 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.514 ' O ' HG23 ' A' ' 120' ' ' THR . 38.6 t80 -83.82 133.98 34.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 119' ' ' TYR . 2.1 p -160.04 42.0 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.996 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.435 ' HB2' ' CZ ' ' A' ' 119' ' ' TYR . 0.1 OUTLIER -61.97 163.13 8.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 49.2 m -118.04 123.75 46.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.493 ' O ' HG22 ' A' ' 126' ' ' ILE . 2.2 t80 -161.26 140.79 7.84 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.446 ' HD2' ' CG ' ' A' ' 123' ' ' TYR . 30.8 Cg_endo -63.64 -23.16 70.11 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.467 2.111 . . . . 0.0 112.308 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -121.26 53.9 1.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.493 HG22 ' O ' ' A' ' 123' ' ' TYR . 9.0 tt -110.02 -44.71 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.167 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.487 ' N ' HG23 ' A' ' 126' ' ' ILE . 25.5 m-20 -65.03 -32.69 74.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.961 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -79.03 -35.1 43.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.92 -34.73 75.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.27 -32.3 73.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -77.6 -39.99 43.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.6 m -60.23 -31.63 70.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 76.8 p -79.85 -43.51 22.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 102.47 31.03 5.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.534 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.749 HD12 ' HB2' ' A' ' 66' ' ' PRO . 12.1 mt -106.41 150.78 25.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.754 0.311 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.93 130.78 42.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -93.81 -33.86 13.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.1 m -68.53 -37.93 80.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.62 105.24 9.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -118.59 163.38 16.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -176.22 40.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 60.9 p-90 -72.4 -27.81 62.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -57.3 -30.79 65.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.049 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.57 109.89 22.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.811 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.482 HG13 ' HB3' ' A' ' 106' ' ' ALA . 21.6 t -116.55 143.04 27.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.128 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ASP . . . . . 0.477 ' O ' HG22 ' A' ' 108' ' ' VAL . 2.5 m-20 -90.56 115.56 27.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.801 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -103.09 125.43 49.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.973 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -98.72 33.38 2.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -144.89 31.22 1.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -80.07 106.12 11.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -108.1 32.23 4.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -123.05 174.99 6.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.072 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.91 -44.99 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -153.79 79.43 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 2.5 ptp -176.53 156.28 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -70.67 161.06 31.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.107 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 3.4 m -115.31 103.48 54.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -68.8 63.99 1.28 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.4 2.067 . . . . 0.0 112.302 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -119.0 -41.09 2.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.809 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 31.6 p-90 -116.65 115.75 26.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.3 175.6 6.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 28.7 mt -127.01 139.87 50.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.096 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.732 HD22 ' CZ ' ' A' ' 99' ' ' PHE . 5.5 tp -65.56 139.96 97.36 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 164' ' ' PRO . . . . . 0.45 ' HD2' HD12 ' A' ' 163' ' ' LEU . 40.5 Cg_endo -67.33 -167.75 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.454 2.103 . . . . 0.0 112.221 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -99.92 -29.19 12.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.994 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -71.28 -25.58 62.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -93.54 17.34 11.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.411 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.91 -31.01 31.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -72.0 77.6 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.947 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 10.1 mt -102.73 133.14 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.079 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -86.0 109.95 19.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 172' ' ' TRP . . . . . 0.697 ' CZ3' HD21 ' A' ' 63' ' ' LEU . 86.6 m95 -78.09 -34.74 50.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.964 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.49 -177.04 6.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 40.2 t -133.72 126.48 30.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 135.77 88.1 0.25 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.549 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.78 116.65 4.66 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.631 2.22 . . . . 0.0 112.288 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 38.8 m -98.78 32.24 2.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 35.0 m -151.67 158.28 43.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.421 -1.21 . . . . 0.0 112.445 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 t 67.39 -70.03 0.12 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.729 0.3 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.7 m -131.96 113.66 13.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.45 -79.69 0.26 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.555 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.3 m 60.31 87.17 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.745 0.307 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.2 p -107.61 57.0 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.929 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.51 79.31 0.27 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.551 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.3 t -111.19 -33.57 6.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -140.72 45.17 1.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.93 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.525 ' O ' HG12 ' A' ' 10' ' ' VAL . 19.8 t -94.38 45.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -145.22 131.06 19.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -100.37 -102.49 2.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.52 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.471 ' CD2' HD13 ' A' ' 21' ' ' LEU . 4.2 m-85 -153.51 148.09 26.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.8 m -160.62 173.13 15.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.0 m120 60.6 39.76 17.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.608 HD13 HD11 ' A' ' 21' ' ' LEU . 1.6 mt -125.93 164.78 20.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -170.06 134.72 1.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.5 33.55 20.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -120.28 170.29 9.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.35 111.39 16.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.111 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.608 HD11 HD13 ' A' ' 16' ' ' LEU . 5.8 mt -106.3 171.74 7.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -151.24 126.46 9.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -115.8 141.39 48.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 ttt85 -116.71 168.61 10.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.14 -31.02 68.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.161 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.6 m -73.12 -34.06 65.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -72.45 -40.11 67.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.805 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.438 HD13 ' HG3' ' A' ' 49' ' ' PRO . 1.4 mt -84.94 -67.27 0.81 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 58.26 51.61 8.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.993 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.426 ' HA ' ' HA ' ' A' ' 49' ' ' PRO . 21.9 mt-30 60.08 69.2 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.421 ' CZ ' HG22 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -141.93 153.83 44.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.837 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.94 138.79 58.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.514 ' HB ' HD12 ' A' ' 52' ' ' LEU . 21.5 t -112.66 116.43 52.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.0 tp -106.26 125.9 51.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.962 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.453 HD23 ' O ' ' A' ' 13' ' ' PHE . 13.1 mt -143.36 115.66 8.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 t -153.87 168.54 26.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.992 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 60.58 39.54 17.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.6 mp -111.7 168.22 9.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.55 112.83 1.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 60.72 31.46 20.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -97.38 127.72 43.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.02 133.84 37.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.6 t -139.93 142.27 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.173 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -133.08 105.07 6.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.701 HD12 ' HB2' ' A' ' 64' ' ' CYS . 10.5 mt -90.09 143.64 26.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -139.08 112.65 8.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 146.01 -152.78 24.84 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.471 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -133.42 65.34 71.96 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.776 0.322 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.438 ' HG3' HD13 ' A' ' 28' ' ' LEU . 50.9 Cg_exo -53.16 176.91 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.573 2.182 . . . . 0.0 112.334 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -86.61 -57.5 2.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -142.77 141.31 31.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.63 HD21 ' CD2' ' A' ' 62' ' ' LEU . 14.4 tp -107.59 129.65 54.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -128.25 135.45 49.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.4 tp -149.72 119.28 6.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.6 p -144.87 157.17 44.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.6 mttm 59.37 30.51 20.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.49 162.92 15.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -163.2 113.78 1.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.7 m 61.03 31.26 19.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 81.1 m -104.6 137.21 42.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -105.76 136.47 45.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.63 ' CD2' HD21 ' A' ' 52' ' ' LEU . 9.6 tp -139.81 128.1 22.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.493 HD23 ' HB3' ' A' ' 82' ' ' ALA . 1.2 mt -131.44 102.95 6.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.701 ' HB2' HD12 ' A' ' 45' ' ' LEU . 42.7 t -125.37 152.85 44.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.471 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -67.73 -179.87 15.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.484 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.529 ' HB2' HD12 ' A' ' 135' ' ' LEU . 12.4 Cg_endo -55.88 109.89 0.49 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.688 2.258 . . . . 0.0 112.199 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.483 HG22 ' N ' ' A' ' 68' ' ' SER . 12.0 p -57.5 158.6 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.256 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.483 ' N ' HG22 ' A' ' 67' ' ' VAL . 1.3 m -72.39 -51.43 20.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.925 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.6 p -104.1 -79.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.069 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.05 -179.99 7.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.976 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.485 HG12 ' N ' ' A' ' 72' ' ' PHE . 28.6 t -115.92 159.04 16.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.051 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.485 ' N ' HG12 ' A' ' 71' ' ' VAL . 81.9 m-85 -131.16 130.18 42.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.946 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.65 HD23 HG23 ' A' ' 90' ' ' ILE . 2.2 tp -131.5 140.48 49.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.831 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -165.51 137.55 4.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.97 40.0 12.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.411 ' O ' HG23 ' A' ' 93' ' ' THR . 70.7 m -111.2 140.66 45.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.6 p -151.72 136.87 17.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 59.59 33.71 22.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.572 ' HB2' HG23 ' A' ' 96' ' ' THR . 20.2 m -107.01 162.55 13.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.952 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -126.78 91.04 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.618 ' HB3' HG23 ' A' ' 98' ' ' ILE . 1.2 tp -92.58 149.3 21.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.493 ' HB3' HD23 ' A' ' 63' ' ' LEU . . . -156.13 104.47 2.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.028 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 65' ' ' GLY . 10.5 p -169.59 127.58 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.16 146.48 45.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.437 ' HB3' HG12 ' A' ' 67' ' ' VAL . 30.6 p -163.37 172.67 14.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.968 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.59 -42.13 17.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.948 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -133.02 158.53 42.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.868 HD22 HD11 ' A' ' 100' ' ' LEU . 44.0 tp -135.16 143.32 46.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.4 ttp85 -137.4 123.7 20.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.96 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.65 HG23 HD23 ' A' ' 73' ' ' LEU . 17.2 mt -128.23 154.72 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.064 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.419 ' N ' HG22 ' A' ' 90' ' ' ILE . 0.8 OUTLIER -158.69 130.85 6.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.003 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.7 m 58.91 38.02 24.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.03 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.661 ' O ' HD11 ' A' ' 114' ' ' ILE . 74.4 m -111.64 146.73 36.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.48 141.35 9.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 60.62 35.62 19.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.572 HG23 ' HB2' ' A' ' 79' ' ' CYS . 38.3 m -115.6 131.55 56.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -92.91 124.5 36.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.983 HG22 HD22 ' A' ' 100' ' ' LEU . 3.0 mp -130.94 115.72 31.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.047 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -105.92 96.93 6.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.983 HD22 HG22 ' A' ' 98' ' ' ILE . 2.5 pt? -140.07 166.97 23.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -123.73 90.66 3.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 31.0 m -71.09 135.87 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 64.8 p -104.61 -31.24 9.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.7 m -94.55 -77.14 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.934 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -163.66 171.96 14.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.422 ' HB3' HG13 ' A' ' 145' ' ' VAL . . . -129.58 139.76 51.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.067 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 31.0 mt -117.11 131.0 71.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.159 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.455 HG12 HD12 ' A' ' 90' ' ' ILE . 6.3 m -145.05 111.7 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -129.85 143.74 50.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 60.54 31.35 20.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 37.9 m -118.15 165.59 13.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -166.16 137.51 3.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.55 29.25 64.0 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.661 HD11 ' O ' ' A' ' 93' ' ' THR . 30.5 mm -80.48 156.8 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.801 0.334 . . . . 0.0 111.09 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.444 ' N ' HG22 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -117.16 120.71 39.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.41 ' HE1' HD23 ' A' ' 88' ' ' LEU . 7.7 m-85 -112.77 117.72 32.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -144.24 153.64 56.42 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.97 160.95 47.8 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.579 2.186 . . . . 0.0 112.315 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -74.61 134.79 42.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 9.9 m -143.9 104.04 4.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -164.79 65.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 23.0 m -65.36 127.16 30.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -132.8 158.29 76.16 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.17 -40.9 68.07 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.562 2.175 . . . . 0.0 112.217 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -124.27 69.44 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -107.66 -29.36 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.061 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -58.6 -28.23 65.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.16 -31.59 61.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -65.67 -44.04 87.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -68.04 -31.52 71.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -67.07 -34.39 77.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.972 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.2 m -59.98 -62.54 1.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 24.0 p -60.37 -43.01 96.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.33 28.4 8.57 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.471 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.529 HD12 ' HB2' ' A' ' 66' ' ' PRO . 11.0 mt -84.25 -179.06 7.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.776 0.322 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -118.25 137.47 53.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.931 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -93.98 -38.15 11.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 8.9 p -65.41 -40.86 93.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -77.9 128.14 33.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -139.04 150.28 45.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -158.93 37.18 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 -70.87 -31.63 68.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -63.09 -33.02 74.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -82.26 127.23 32.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.422 HG13 ' HB3' ' A' ' 106' ' ' ALA . 21.4 t -144.44 133.53 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.062 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -86.12 158.52 19.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.984 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -143.68 137.82 28.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -106.33 -41.45 5.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -60.33 -41.7 94.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 65.2 t-105 -98.63 163.26 12.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -169.51 108.28 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -155.78 149.72 25.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -55.93 21.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -138.24 77.54 1.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.51 166.22 30.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -89.77 154.03 20.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 3.6 m -110.98 100.59 47.21 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.64 64.03 1.22 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.469 2.113 . . . . 0.0 112.307 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -134.24 -46.61 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 59.8 p-90 -126.26 144.8 50.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -133.97 155.86 49.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 30.6 mt -89.59 138.51 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.665 HD23 ' HG2' ' A' ' 168' ' ' ARG . 4.2 tp -75.25 133.07 75.27 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.79 177.54 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.378 2.052 . . . . 0.0 112.253 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -95.15 47.54 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -132.35 -45.68 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.956 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.432 ' O ' HD21 ' A' ' 163' ' ' LEU . 2.0 mm-40 -98.82 30.38 3.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.042 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 168' ' ' ARG . . . . . 0.665 ' HG2' HD23 ' A' ' 163' ' ' LEU . 8.4 mtt180 -86.33 -45.84 10.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -95.96 74.04 3.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 2.4 mp -68.93 136.37 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.87 112.78 9.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 172' ' ' TRP . . . . . . . . . . . . . 20.0 m95 -98.78 30.69 3.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -122.93 147.63 46.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 92.9 p -167.42 137.91 2.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -92.84 105.28 3.28 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.468 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.28 -47.3 2.32 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.439 2.093 . . . . 0.0 112.276 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 18.8 p -176.28 40.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.953 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 9.3 m 60.72 111.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.427 -1.207 . . . . 0.0 112.499 -179.92 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -101.66 31.61 3.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 m -90.74 143.42 26.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.92 53.76 0.55 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.497 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -73.11 138.0 45.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.826 0.346 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.1 p -159.44 -45.41 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.17 -175.34 34.82 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.462 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.2 p -139.3 -178.24 5.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.801 0.334 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -168.15 -43.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.945 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.1 m -86.5 142.66 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.8 t -148.3 -53.22 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.09 -150.07 16.94 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.649 ' CG ' HD13 ' A' ' 21' ' ' LEU . 44.5 m-85 -129.98 143.6 50.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.751 0.31 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.8 p -162.68 173.12 14.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.4 m120 60.15 37.38 20.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.867 HD13 HD11 ' A' ' 21' ' ' LEU . 1.3 mt -123.21 141.64 51.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -139.55 124.14 18.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 t 60.52 32.82 20.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -110.04 171.41 7.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.8 121.68 60.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.12 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.867 HD11 HD13 ' A' ' 16' ' ' LEU . 11.7 mt -118.06 158.15 25.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.47 142.31 4.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.437 ' HZ2' ' HE2' ' A' ' 13' ' ' PHE . 13.6 mtmm -139.9 153.49 46.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -113.16 172.4 6.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.97 -31.15 69.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.056 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 m -66.29 -33.04 74.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -82.17 -54.1 5.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.787 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.2 mt -66.65 -62.66 1.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.005 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.0 t60 60.8 42.39 13.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.941 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 61.02 83.01 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -151.51 157.92 42.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -68.49 145.59 53.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -138.7 121.04 17.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.9 tp -107.93 129.33 55.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.961 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.628 ' HB2' HD12 ' A' ' 54' ' ' LEU . 1.7 mt -125.55 137.19 53.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.94 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 t -167.96 168.81 11.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 61.36 39.36 15.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.543 HD11 ' HB3' ' A' ' 35' ' ' LEU . 3.6 mt -109.94 159.62 17.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.6 t -160.47 113.69 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 60.13 30.03 19.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.018 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.2 t -97.71 146.21 25.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.13 128.85 56.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.522 ' HB ' HD12 ' A' ' 62' ' ' LEU . 21.5 t -133.69 130.34 56.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.12 100.01 4.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.3 mt -86.95 156.84 19.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -144.29 100.2 3.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 167.71 -119.4 0.84 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.552 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -168.17 84.93 0.73 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.735 0.303 . . . . 0.0 110.833 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.7 -179.92 3.7 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.524 2.15 . . . . 0.0 112.325 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.99 -62.83 1.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.57 HG23 ' OG1' ' A' ' 69' ' ' THR . 0.2 OUTLIER -140.4 106.92 5.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.652 HD21 HD21 ' A' ' 62' ' ' LEU . 59.4 tp -83.07 144.79 29.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -147.94 124.74 11.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.628 HD12 ' HB2' ' A' ' 35' ' ' LEU . 4.2 tp -128.01 121.89 30.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.8 p -144.49 158.72 43.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.998 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.5 mtmm 60.15 39.93 18.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -113.84 139.3 49.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.059 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -138.0 126.65 23.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.8 m 58.33 27.02 14.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.052 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 22.0 m -103.96 158.26 16.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -125.46 123.56 39.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.652 HD21 HD21 ' A' ' 52' ' ' LEU . 5.2 tp -122.14 132.24 54.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.498 HD23 ' HB3' ' A' ' 82' ' ' ALA . 2.8 mt -136.35 123.17 21.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.812 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 41.9 t -145.11 156.19 43.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.033 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.526 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -68.46 -179.91 19.58 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.53 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -62.27 109.92 0.94 Allowed 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.684 2.256 . . . . 0.0 112.164 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.538 HG12 ' HB3' ' A' ' 85' ' ' CYS . 11.8 p -62.67 158.49 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.116 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.485 ' N ' HG22 ' A' ' 67' ' ' VAL . 23.0 t -67.16 -53.55 29.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.956 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.57 ' OG1' HG23 ' A' ' 51' ' ' THR . 0.8 OUTLIER -97.08 -76.85 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.99 -179.93 3.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.94 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.97 HG21 HG11 ' A' ' 83' ' ' VAL . 21.5 t -122.94 159.11 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.488 ' N ' HG12 ' A' ' 71' ' ' VAL . 7.5 m-85 -125.38 157.92 35.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.831 HD13 HD22 ' A' ' 81' ' ' LEU . 2.9 tp -151.84 123.76 8.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.822 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -146.6 141.65 27.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.054 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.8 35.23 19.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.7 m -104.84 135.01 47.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.7 m -145.19 134.15 22.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 60.02 29.72 19.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.66 168.65 9.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -128.01 89.96 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.045 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.831 HD22 HD13 ' A' ' 73' ' ' LEU . 23.8 tp -87.44 139.56 30.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.498 ' HB3' HD23 ' A' ' 63' ' ' LEU . . . -153.19 103.5 2.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.04 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.97 HG11 HG21 ' A' ' 71' ' ' VAL . 12.9 p -166.57 116.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.94 139.51 58.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.042 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.538 ' HB3' HG12 ' A' ' 67' ' ' VAL . 6.0 p -163.71 177.52 8.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -90.92 -30.91 16.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.983 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -138.03 146.92 43.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.701 HD22 HD11 ' A' ' 100' ' ' LEU . 18.7 tp -140.0 117.37 11.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -105.54 116.2 31.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.698 HD11 ' CD2' ' A' ' 88' ' ' LEU . 6.9 mt -120.43 137.04 55.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.433 ' CD2' ' HB3' ' A' ' 109' ' ' GLU . 75.7 m80 -148.41 143.16 26.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.88 30.04 15.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.622 ' O ' HD11 ' A' ' 114' ' ' ILE . 56.0 m -104.01 141.4 36.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.29 140.74 17.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.3 t0 60.7 30.25 19.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.9 m -115.91 120.72 40.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.424 ' HB3' ' CE1' ' A' ' 99' ' ' PHE . 91.6 mtt180 -87.61 121.11 29.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.034 HG22 HD22 ' A' ' 100' ' ' LEU . 3.6 mp -116.03 112.6 40.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.076 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.605 ' CD2' ' HB3' ' A' ' 117' ' ' ALA . 16.4 m-85 -105.5 102.0 11.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 1.034 HD22 HG22 ' A' ' 98' ' ' ILE . 2.1 pt? -149.36 172.61 14.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.83 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -120.1 95.13 4.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.543 HG11 ' HB2' ' A' ' 106' ' ' ALA . 9.1 m -74.04 131.22 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 76.9 p -100.27 -31.33 11.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.938 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.53 -69.96 0.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -178.14 155.96 0.98 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.569 ' HB3' HG12 ' A' ' 145' ' ' VAL . . . -112.56 136.67 51.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 31.3 mt -105.21 139.16 27.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.129 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 16.8 m -144.74 147.88 18.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.433 ' HB3' ' CD2' ' A' ' 91' ' ' HIS . 1.8 tm-20 -168.52 141.05 2.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 61.34 29.89 18.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 84.5 m -106.81 173.98 6.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.974 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.5 m -169.98 118.84 0.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.09 38.97 17.32 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.529 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.622 HD11 ' O ' ' A' ' 93' ' ' THR . 25.8 mm -86.87 142.99 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.368 . . . . 0.0 111.078 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -114.54 122.47 46.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.604 ' O ' HG23 ' A' ' 162' ' ' ILE . 40.2 m-85 -112.99 109.17 18.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.605 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . . . -126.74 155.2 75.52 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.433 ' HG3' ' CE2' ' A' ' 142' ' ' TRP . 52.4 Cg_exo -54.71 161.49 5.97 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.634 2.222 . . . . 0.0 112.246 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -71.35 122.82 20.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 17.8 p -133.29 102.97 5.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.406 ' CE2' ' HB3' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -174.16 131.23 0.39 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 179.914 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.4 t 60.9 -173.63 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.455 ' O ' HG22 ' A' ' 126' ' ' ILE . 0.1 OUTLIER -179.71 -52.81 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.978 179.896 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.427 ' HD3' ' CB ' ' A' ' 123' ' ' TYR . 38.2 Cg_exo -60.33 -32.41 94.06 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.38 2.053 . . . . 0.0 112.285 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -133.35 52.37 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.455 HG22 ' O ' ' A' ' 123' ' ' TYR . 5.9 tp -109.92 -36.28 2.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -62.97 -30.4 71.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -67.11 -31.78 72.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -70.86 -50.0 40.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -60.8 -31.75 71.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -77.33 -37.25 52.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 74.2 m -63.36 -55.38 24.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.2 -42.01 97.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 102.09 28.6 6.44 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.568 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 8.6 mt -91.95 179.6 5.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.756 0.313 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.19 144.63 32.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 52.7 mtm180 -101.13 -38.61 8.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 67.4 m -86.93 -40.09 15.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.04 90.43 3.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -158.52 157.41 32.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.813 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.445 ' O ' HG23 ' A' ' 102' ' ' VAL . 1.1 t30 -149.73 100.91 3.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' TRP . . . . . 0.433 ' CE2' ' HG3' ' A' ' 118' ' ' PRO . 57.3 p-90 -100.51 30.54 3.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -135.03 31.71 3.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -163.82 105.94 0.94 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.569 HG12 ' HB3' ' A' ' 106' ' ' ALA . 28.6 m -125.08 169.42 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -102.39 115.69 31.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -92.6 147.91 22.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -100.8 -61.76 1.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.439 ' O ' ' ND2' ' A' ' 149' ' ' ASN . 0.9 OUTLIER -79.72 72.05 6.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -82.47 120.98 26.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.3 mt -123.1 30.4 6.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 156' ' ' ALA . . . -141.3 160.77 39.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.109 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.89 -7.01 11.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.335 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.37 28.2 3.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.771 0.32 . . . . 0.0 111.012 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 1.2 ttt 57.27 40.19 28.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.053 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.458 ' O ' ' HB3' ' A' ' 152' ' ' ALA . . . -125.06 143.54 50.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 17.7 m -131.34 87.98 45.55 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -68.68 65.0 1.23 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.542 2.161 . . . . 0.0 112.281 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -135.88 -48.93 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.799 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 66.8 p-90 -117.49 134.06 55.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 7.3 m -112.99 179.97 3.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' ILE . . . . . 0.604 HG23 ' O ' ' A' ' 116' ' ' PHE . 32.9 mt -117.68 139.57 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.452 HD12 ' HD2' ' A' ' 164' ' ' PRO . 14.6 tp -68.52 137.63 90.97 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.824 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 164' ' ' PRO . . . . . 0.452 ' HD2' HD12 ' A' ' 163' ' ' LEU . 51.5 Cg_endo -69.1 -174.79 0.83 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.457 2.104 . . . . 0.0 112.25 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -102.07 31.61 3.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -113.18 -36.64 4.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -113.3 34.63 4.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -62.16 1.73 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -77.25 113.41 14.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 1.8 mp -113.53 138.65 42.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -67.11 -178.18 0.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 172' ' ' TRP . . . . . . . . . . . . . 78.7 m95 -150.6 88.95 1.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.97 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.76 123.7 33.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 19.1 t -88.67 142.83 27.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -170.32 134.89 3.3 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.357 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.22 -62.09 0.34 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.521 2.147 . . . . 0.0 112.315 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.72 -32.5 16.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.8 m 60.97 97.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.341 -1.255 . . . . 0.0 112.424 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.159 0 N-CA-C 112.567 -0.213 . . . . 0.0 112.567 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -108.15 -177.3 3.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.96 121.42 26.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.45 32.3 57.94 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.431 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.4 p -155.88 174.33 15.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.878 0.371 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.75 -49.81 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.93 177.78 48.19 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.555 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m -168.0 62.43 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.927 0.394 . . . . 0.0 110.813 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.408 ' CZ2' ' HD2' ' A' ' 31' ' ' ARG . 0.9 OUTLIER -55.0 -29.1 56.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.5 m -90.27 111.94 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.18 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 48.8 t -160.57 -51.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.82 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.81 176.11 21.06 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -101.25 131.53 47.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.824 0.345 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.55 171.27 20.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 62.99 32.94 15.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.507 ' HB2' HD23 ' A' ' 38' ' ' LEU . 11.7 mt -123.45 172.82 8.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -169.86 135.39 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.5 p 58.53 34.39 23.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.988 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -110.31 171.5 7.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.29 103.09 10.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.042 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.9 mt -92.57 170.36 9.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -168.63 134.56 1.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -136.19 167.37 21.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.16 175.82 10.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.5 -41.41 89.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.189 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.6 t -62.01 -31.34 71.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -88.55 -37.98 15.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.947 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mt -86.08 -70.62 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 61.47 50.43 4.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 60.31 80.08 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.963 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.408 ' HD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.5 mmt180 -144.47 169.04 18.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -76.37 132.33 39.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -122.34 129.12 75.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 29.4 tp -131.79 133.76 45.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.658 ' HB2' HD12 ' A' ' 54' ' ' LEU . 3.1 mt -134.27 113.06 11.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.5 t -145.67 166.73 24.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 60.23 34.95 20.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.507 HD23 ' HB2' ' A' ' 16' ' ' LEU . 2.9 mt -119.87 150.99 39.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.974 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.3 125.04 12.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.863 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 60.79 31.07 20.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 24.3 t -110.18 117.86 34.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.495 HG23 ' HB2' ' A' ' 61' ' ' LYS . 4.1 m -87.51 145.58 26.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -135.49 135.86 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.129 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.8 mtp85 -128.86 109.81 11.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.62 HD12 ' HB3' ' A' ' 64' ' ' CYS . 3.1 mt -109.16 136.24 48.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -133.5 102.21 5.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 172.09 -109.46 0.31 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.534 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -176.2 66.19 0.23 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.869 0.366 . . . . 0.0 110.841 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.5 167.07 0.62 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.63 2.22 . . . . 0.0 112.299 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -77.78 -62.7 1.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -144.7 110.76 5.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.849 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.599 ' HB3' HG22 ' A' ' 71' ' ' VAL . 13.5 tp -72.6 153.54 41.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.0 ttm-85 -159.11 118.99 3.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.658 HD12 ' HB2' ' A' ' 35' ' ' LEU . 5.6 tp -126.33 125.09 41.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.751 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.8 p -148.0 154.37 40.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.977 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.7 mmtt 59.34 35.73 23.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.966 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.09 142.51 35.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.059 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -144.86 127.64 16.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.5 m 58.79 30.24 19.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.033 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.2 m -113.12 141.27 47.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.495 ' HB2' HG23 ' A' ' 42' ' ' THR . 19.3 mtmt -105.58 129.31 53.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.674 HD23 ' CD1' ' A' ' 81' ' ' LEU . 17.8 tp -120.01 128.03 53.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mt -138.69 120.68 15.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.811 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.62 ' HB3' HD12 ' A' ' 45' ' ' LEU . 28.0 p -155.01 163.27 40.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.427 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -69.48 -179.97 24.34 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.439 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.408 ' HG3' ' CD1' ' A' ' 130' ' ' PHE . 22.7 Cg_endo -61.23 126.33 19.12 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.621 2.214 . . . . 0.0 112.274 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.4 HG12 ' HB3' ' A' ' 85' ' ' CYS . 11.7 p -67.96 149.05 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.133 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 m -60.27 -52.88 63.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.1 -78.79 0.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.79 179.97 7.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.759 HG21 HG11 ' A' ' 83' ' ' VAL . 21.7 t -121.88 158.66 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.485 ' N ' HG12 ' A' ' 71' ' ' VAL . 63.4 m-85 -134.89 131.38 37.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.415 HD23 HG23 ' A' ' 90' ' ' ILE . 3.8 tp -122.38 140.3 52.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.803 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -164.12 136.16 4.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.978 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.27 40.05 9.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 53.4 m -113.74 135.93 53.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.8 p -146.99 136.54 22.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.792 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 60.03 37.07 21.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.75 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -114.82 156.77 24.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.78 89.96 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.023 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.674 ' CD1' HD23 ' A' ' 62' ' ' LEU . 21.4 tp -84.34 150.31 25.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.006 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -155.18 102.26 2.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.962 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.759 HG11 HG21 ' A' ' 71' ' ' VAL . 11.1 p -164.23 119.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.159 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.91 107.39 4.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.175 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.4 ' HB3' HG12 ' A' ' 67' ' ' VAL . 24.8 p -128.83 147.87 50.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -59.14 -44.62 92.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -131.03 146.86 52.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.641 ' CD2' HD11 ' A' ' 90' ' ' ILE . 10.3 tp -130.46 129.29 42.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.26 111.1 17.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.641 HD11 ' CD2' ' A' ' 88' ' ' LEU . 4.5 mt -110.2 155.13 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.036 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.432 ' N ' HG22 ' A' ' 90' ' ' ILE . 65.6 t60 -167.94 140.24 3.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.3 m 57.29 31.06 19.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 30.5 m -102.89 139.94 37.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.963 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 46.4 tttm -146.75 128.16 14.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.01 39.07 20.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.0 m -113.88 113.18 24.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 51.5 mtt85 -80.0 125.52 29.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.982 HG22 HD22 ' A' ' 100' ' ' LEU . 1.7 mp -123.49 112.57 33.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.18 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.57 ' CZ ' HD13 ' A' ' 163' ' ' LEU . 22.5 m-85 -105.77 92.04 4.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.982 HD22 HG22 ' A' ' 98' ' ' ILE . 2.5 pt? -134.6 175.77 9.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.992 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -126.94 89.93 3.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.793 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.77 HG23 ' O ' ' A' ' 141' ' ' ASN . 8.9 m -77.82 135.87 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 17.2 p -105.69 -31.58 8.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.01 -72.81 0.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -173.3 170.84 4.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -131.93 143.57 50.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.012 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 6.7 mt -119.54 149.65 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.445 ' O ' HG23 ' A' ' 108' ' ' VAL . 17.2 m -146.8 117.56 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.401 ' OE2' ' CD2' ' A' ' 148' ' ' PHE . 9.8 mt-10 -125.41 129.31 49.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.3 t70 61.12 31.53 19.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 21.9 m -104.31 166.49 10.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.97 143.03 2.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 61.61 34.33 88.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.543 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 28.6 mm -85.36 140.9 15.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 0.0 111.102 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.4 111.81 22.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -96.24 151.61 19.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -168.47 154.9 6.96 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.92 177.23 5.9 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.547 2.164 . . . . 0.0 112.266 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.413 ' CE2' ' HB3' ' A' ' 121' ' ' TRP . 9.6 t80 -80.0 103.64 10.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 7.2 t -96.76 41.23 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.413 ' HB3' ' CE2' ' A' ' 119' ' ' TYR . 0.0 OUTLIER -131.25 130.65 43.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.871 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.9 t -136.83 156.44 48.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -153.73 165.39 17.92 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.39 -28.31 53.05 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.552 2.168 . . . . 0.0 112.284 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -125.24 63.91 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 9.4 tp -95.48 -30.69 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -73.93 -21.42 60.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.176 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -75.15 -32.27 61.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.863 0.363 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -65.71 -44.9 84.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.408 ' CD1' ' HG3' ' A' ' 66' ' ' PRO . 5.9 m-85 -67.81 -31.16 70.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -74.05 -39.13 63.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.3 m -60.19 -45.37 93.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 58.8 p -81.54 -31.11 32.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 99.37 28.27 7.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.5 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 85.9 mt -94.66 156.86 16.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.828 0.347 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -100.5 157.03 16.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.35 -32.17 10.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.72 -46.77 88.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -60.42 122.55 14.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -142.37 85.89 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.77 ' O ' HG23 ' A' ' 102' ' ' VAL . 0.6 OUTLIER -113.55 84.33 2.0 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 38.3 p-90 -105.97 35.07 3.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -126.47 -43.04 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -56.62 108.76 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.113 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 9.5 p -143.32 146.34 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -105.43 121.29 43.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.05 125.04 44.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.401 ' CD2' ' OE2' ' A' ' 109' ' ' GLU . 34.5 m-85 -111.24 39.06 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -138.54 -48.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -118.57 132.47 56.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.49 93.07 6.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -108.08 105.38 15.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.113 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -111.07 27.73 9.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.71 -44.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.855 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 20.9 ptp -89.38 -173.94 4.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -90.84 154.35 19.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 3.1 t -103.4 94.31 5.73 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -68.75 63.54 1.26 Allowed 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.478 2.119 . . . . 0.0 112.343 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -135.84 -47.19 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 14.9 p-90 -120.86 144.59 48.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.796 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -138.27 155.28 48.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.99 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 7.1 mt -91.38 146.57 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.992 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.583 HD22 ' HG2' ' A' ' 168' ' ' ARG . 2.2 tt -75.08 133.86 75.01 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 164' ' ' PRO . . . . . 0.565 ' O ' HD23 ' A' ' 163' ' ' LEU . 72.7 Cg_endo -76.58 154.51 35.26 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.523 2.148 . . . . 0.0 112.363 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 19.9 mp0 -65.86 -30.17 70.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -67.04 -27.44 67.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.038 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.505 ' O ' HD21 ' A' ' 163' ' ' LEU . 40.4 mt-10 -104.77 28.74 6.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.145 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 168' ' ' ARG . . . . . 0.583 ' HG2' HD22 ' A' ' 163' ' ' LEU . 19.9 mtm180 -105.91 32.86 4.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.978 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -101.08 88.45 3.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 170' ' ' ILE . . . . . 0.417 ' HB ' ' CZ2' ' A' ' 172' ' ' TRP . 21.4 mt -109.28 139.07 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.073 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -80.35 114.59 19.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 172' ' ' TRP . . . . . 0.417 ' CZ2' ' HB ' ' A' ' 170' ' ' ILE . 23.5 m95 -98.09 -47.81 5.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -166.08 -43.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 85.2 p -104.31 39.56 1.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.847 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -67.13 143.94 43.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.462 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.39 60.53 5.75 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.607 2.205 . . . . 0.0 112.407 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.68 -53.57 0.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.74 139.24 45.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.421 -1.21 . . . . 0.0 112.456 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -81.08 159.8 24.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.788 0.328 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.4 p -148.94 31.5 0.78 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.3 58.17 0.47 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 p -154.3 155.19 34.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.779 0.323 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -63.89 121.46 14.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.66 171.85 27.16 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.1 t -111.89 85.97 2.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.831 0.348 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 28.5 m95 -115.64 -74.48 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.2 m -73.6 150.4 7.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.598 ' HB2' HG13 ' A' ' 33' ' ' VAL . 72.3 m -104.96 171.42 7.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 163.83 114.92 0.31 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.463 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.522 ' CD1' HD11 ' A' ' 16' ' ' LEU . 4.5 m-85 -139.28 115.06 10.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 0.0 110.847 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.4 m -143.11 169.43 17.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 61.29 31.32 19.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.522 HD11 ' CD1' ' A' ' 13' ' ' PHE . 23.5 mt -112.72 157.23 21.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -158.35 132.52 7.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.1 m 60.35 35.95 20.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -116.04 169.05 9.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.6 t -129.05 110.98 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.492 HD13 ' CD2' ' A' ' 13' ' ' PHE . 7.0 mt -108.9 142.76 39.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.35 134.28 29.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -126.69 161.19 28.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.684 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -123.7 172.98 8.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.27 -30.57 71.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.138 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.56 -31.75 63.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -74.06 -35.8 64.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.684 HD12 ' O ' ' A' ' 24' ' ' ARG . 1.1 mp -95.19 -70.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 60.61 50.04 6.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.97 89.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 -155.65 170.1 22.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -75.18 133.18 41.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.598 HG13 ' HB2' ' A' ' 11' ' ' CYS . 21.8 t -128.77 148.06 33.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.188 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.0 tp -142.19 132.59 25.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.521 ' HB2' HD12 ' A' ' 54' ' ' LEU . 1.4 mt -142.57 112.76 7.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.7 t -143.62 169.97 16.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 61.04 39.14 16.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 75.9 mt -107.64 145.54 33.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.1 m -145.58 114.72 7.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 61.62 30.99 18.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.1 t -101.77 134.3 45.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.4 m -102.86 127.72 49.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.59 ' HB ' HD12 ' A' ' 62' ' ' LEU . 21.4 t -132.74 141.21 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.5 mtt-85 -132.57 104.18 6.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.665 HD12 ' HB2' ' A' ' 64' ' ' CYS . 53.5 mt -90.57 125.69 35.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -121.92 109.35 14.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 155.07 -114.68 0.62 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.435 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -175.95 79.1 0.29 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.331 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.49 ' HG3' HD22 ' A' ' 28' ' ' LEU . 45.7 Cg_exo -56.26 -173.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.57 2.18 . . . . 0.0 112.331 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -105.41 -47.26 3.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.34 99.99 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.529 ' HB3' HG22 ' A' ' 71' ' ' VAL . 46.5 tp -77.19 140.68 40.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.14 111.16 5.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.815 HD13 HD22 ' A' ' 62' ' ' LEU . 5.9 tp -116.31 132.24 56.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.8 p -152.79 155.35 36.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.964 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.71 36.87 22.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.52 142.23 34.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -143.74 120.57 11.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.5 m 59.69 29.52 19.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.963 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 59.3 m -105.87 152.75 22.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -117.9 126.96 53.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.836 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.815 HD22 HD13 ' A' ' 54' ' ' LEU . 10.5 tp -125.29 113.31 17.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.722 HD11 ' CE3' ' A' ' 172' ' ' TRP . 5.8 mt -115.73 104.89 12.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.776 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.665 ' HB2' HD12 ' A' ' 45' ' ' LEU . 51.2 t -131.85 153.56 50.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.038 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.559 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -72.76 -179.83 36.5 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.458 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -56.9 109.78 0.5 Allowed 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.666 2.244 . . . . 0.0 112.086 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.474 HG22 ' N ' ' A' ' 68' ' ' SER . 11.5 p -57.38 158.14 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.186 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.474 ' N ' HG22 ' A' ' 67' ' ' VAL . 42.8 t -63.7 -54.21 39.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -104.78 -76.63 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.67 -179.98 7.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.947 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.529 HG22 ' HB3' ' A' ' 52' ' ' LEU . 21.3 t -124.67 158.66 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.479 ' N ' HG12 ' A' ' 71' ' ' VAL . 12.5 m-85 -132.75 139.89 47.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.463 HD13 HD22 ' A' ' 81' ' ' LEU . 6.9 tp -130.28 143.13 50.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -165.03 140.46 5.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 62.2 39.07 13.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 65.4 m -112.0 132.48 54.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.2 m -141.94 134.0 27.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.961 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 60.68 35.78 19.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.612 ' H ' HG23 ' A' ' 96' ' ' THR . 0.5 OUTLIER -109.67 175.42 5.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.6 t -143.6 89.99 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.123 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.463 HD22 HD13 ' A' ' 73' ' ' LEU . 54.2 tp -88.08 139.22 30.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -141.92 98.69 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 65' ' ' GLY . 11.8 p -165.98 130.62 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.71 144.54 50.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.066 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.48 ' O ' HG12 ' A' ' 102' ' ' VAL . 4.0 p -166.38 142.53 4.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -55.63 -52.29 64.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.83 141.6 51.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.454 HD21 HD11 ' A' ' 90' ' ' ILE . 11.3 tp -121.52 131.42 54.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -118.13 126.21 51.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.686 ' HB ' HG12 ' A' ' 108' ' ' VAL . 22.4 mt -127.19 155.08 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.086 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.432 ' CD2' ' HB2' ' A' ' 109' ' ' GLU . 2.9 t-80 -165.13 134.47 3.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.981 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.5 m 59.71 31.57 20.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.927 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.74 ' O ' HD11 ' A' ' 114' ' ' ILE . 28.2 m -105.68 141.21 37.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.58 139.28 13.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 59.74 31.47 20.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.612 HG23 ' H ' ' A' ' 79' ' ' CYS . 11.8 m -115.57 128.06 55.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 65.9 mtt-85 -83.35 148.47 27.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.859 HG22 HD22 ' A' ' 100' ' ' LEU . 15.4 mt -150.44 115.51 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.159 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -112.95 99.96 8.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.859 HD22 HG22 ' A' ' 98' ' ' ILE . 2.4 pt? -143.34 -179.97 6.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -134.86 99.87 4.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.767 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 141' ' ' ASN . 10.3 m -93.52 136.67 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.29 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 60.4 p -96.78 -33.42 11.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.86 -75.96 0.35 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.504 HH21 HD11 ' A' ' 107' ' ' ILE . 6.4 ptt-85 -177.84 171.17 1.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -125.33 145.18 50.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.971 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.504 HD11 HH21 ' A' ' 105' ' ' ARG . 26.0 mt -121.59 150.44 24.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.243 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.686 HG12 ' HB ' ' A' ' 90' ' ' ILE . 15.5 m -148.25 139.97 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.432 ' HB2' ' CD2' ' A' ' 91' ' ' HIS . 21.7 mt-10 -136.04 129.17 31.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.963 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.17 32.7 22.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 66.1 m -100.48 157.15 16.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 42.4 m -159.94 126.63 4.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.64 36.15 54.22 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.508 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.74 HD11 ' O ' ' A' ' 93' ' ' THR . 28.8 mm -81.95 158.75 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.853 0.359 . . . . 0.0 111.088 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.47 ' N ' HG22 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -118.24 132.67 56.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.607 ' O ' HG23 ' A' ' 162' ' ' ILE . 57.5 m-85 -130.79 100.17 5.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.8 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -127.48 155.1 77.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.406 ' HG3' ' CZ2' ' A' ' 142' ' ' TRP . 52.9 Cg_exo -52.43 175.14 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.568 2.179 . . . . 0.0 112.308 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -84.9 116.83 23.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 58.1 p -104.59 97.27 7.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -176.71 97.08 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.18 159.06 15.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.45 ' CG ' ' HD2' ' A' ' 124' ' ' PRO . 0.0 OUTLIER -179.84 148.9 0.5 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.45 ' HD2' ' CG ' ' A' ' 123' ' ' TYR . 30.4 Cg_endo -63.48 -27.16 70.22 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.529 2.153 . . . . 0.0 112.266 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -110.87 36.36 3.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.832 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.427 HG22 ' O ' ' A' ' 123' ' ' TYR . 3.9 tp -83.42 -35.21 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.81 -32.21 59.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -44.35 90.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.24 -41.82 99.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.415 ' CE2' ' HG3' ' A' ' 137' ' ' ARG . 2.6 m-85 -59.75 -32.41 70.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -71.88 -47.12 55.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.6 m -60.41 -31.39 70.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 5.9 p -76.14 -52.57 9.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 112.69 27.78 3.69 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.466 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 87.3 mt -111.17 161.77 15.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.814 0.34 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -118.01 154.15 32.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.415 ' HG3' ' CE2' ' A' ' 130' ' ' PHE . 14.1 mtp180 -117.36 29.73 7.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.7 t -121.62 25.73 9.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.055 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -120.31 -67.05 1.01 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.822 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 60.91 112.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.989 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.595 ' O ' HG23 ' A' ' 102' ' ' VAL . 3.7 m120 -146.17 54.1 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.837 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' TRP . . . . . 0.406 ' CZ2' ' HG3' ' A' ' 118' ' ' PRO . 36.9 p-90 -99.48 30.78 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.807 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -119.1 -41.19 2.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.71 129.1 34.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 15.5 m -142.79 176.94 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -125.28 112.87 16.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -72.6 164.32 26.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -163.47 36.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -159.77 -45.44 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 43.6 t-105 -115.12 135.15 54.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 9.2 mt -83.35 161.21 21.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -128.5 111.85 13.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.7 -54.44 1.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -129.51 -45.89 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.8 165.35 24.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -76.42 -175.2 3.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 8.2 t -121.63 93.73 48.62 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.61 -7.14 20.6 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.55 2.167 . . . . 0.0 112.729 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -52.89 -30.47 34.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.762 0.315 . . . . 0.0 111.097 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 30.3 p-90 -148.9 129.05 13.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.74 143.42 50.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 162' ' ' ILE . . . . . 0.607 HG23 ' O ' ' A' ' 116' ' ' PHE . 31.5 mt -92.04 138.23 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 4.9 tp -76.29 134.97 69.86 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.2 177.11 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.465 2.11 . . . . 0.0 112.213 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -98.44 28.71 3.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -115.92 -35.65 4.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -97.49 35.51 1.63 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -89.39 -31.15 17.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -70.04 97.25 1.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 4.1 mt -123.74 118.15 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.052 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.18 105.32 4.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 172' ' ' TRP . . . . . 0.722 ' CE3' HD11 ' A' ' 63' ' ' LEU . 91.3 m95 -69.89 -45.47 67.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -62.24 144.07 56.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 1.3 m -162.6 109.6 1.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 99.62 115.79 3.75 Favored Glycine 0 CA--C 1.519 0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.374 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -51.15 134.83 44.5 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.441 2.094 . . . . 0.0 112.403 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 2.6 t -159.42 -46.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 97.6 p -167.34 85.88 0.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.43 -1.206 . . . . 0.0 112.465 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 N-CA-C 112.555 -0.218 . . . . 0.0 112.555 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 p -146.39 -48.54 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 110.938 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.54 118.59 13.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.19 155.94 15.31 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.537 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.6 m -74.72 154.72 38.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.93 -53.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.5 73.96 0.15 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.7 m -79.22 -44.2 22.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.791 0.329 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -99.54 92.6 5.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.806 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.37 89.17 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -109.36 119.73 40.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -138.38 138.86 9.82 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.515 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -102.73 115.6 30.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.3 p -142.27 174.55 10.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 60.53 31.1 20.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.935 HD13 HD11 ' A' ' 21' ' ' LEU . 1.3 mt -113.48 149.47 34.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.2 mp0 -154.26 129.49 9.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.2 m 60.8 38.17 18.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.618 ' OE1' HD23 ' A' ' 16' ' ' LEU . 2.3 mt-30 -119.96 171.44 8.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.6 t -122.1 103.77 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.085 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.935 HD11 HD13 ' A' ' 16' ' ' LEU . 23.1 mt -101.83 142.39 33.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -141.85 147.99 38.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -133.96 176.63 8.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.979 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.23 159.82 42.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.53 ' HB2' ' CA ' ' A' ' 47' ' ' GLY . . . -62.72 -35.32 79.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.7 t -60.33 -33.2 72.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.94 -44.7 10.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.9 mt -67.6 -60.7 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 60.44 45.21 11.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 61.27 80.74 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.2 mtt85 -149.77 158.51 44.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -63.17 148.99 46.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.06 128.32 71.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 tp -116.51 122.66 45.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.421 HD13 HD11 ' A' ' 62' ' ' LEU . 5.4 mt -138.84 111.77 7.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.7 t -150.18 173.86 13.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 60.3 37.48 20.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.955 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.416 HD22 ' HB2' ' A' ' 16' ' ' LEU . 38.1 mt -110.69 149.01 31.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 m -149.53 119.22 7.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 59.45 29.65 19.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.004 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 51.3 t -109.1 149.51 29.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 p -109.91 141.06 43.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.608 ' HB ' HD12 ' A' ' 62' ' ' LEU . 22.0 t -143.37 136.7 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.696 ' HG2' HD12 ' A' ' 63' ' ' LEU . 1.4 mpt_? -138.98 103.72 4.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.2 mt -87.9 140.02 29.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -124.6 135.39 53.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.53 ' CA ' ' HB2' ' A' ' 25' ' ' ALA . . . 129.23 -112.8 1.41 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.457 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -176.5 85.87 0.27 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 120.747 0.308 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.56 171.57 15.08 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.573 2.182 . . . . 0.0 112.308 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -88.01 -48.75 7.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.6 117.71 8.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.683 HD21 ' CD2' ' A' ' 62' ' ' LEU . 32.5 tp -95.17 123.78 38.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.788 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -125.73 126.52 44.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.442 HD22 ' CD1' ' A' ' 81' ' ' LEU . 4.1 tp -132.07 120.99 23.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.821 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.5 p -146.52 157.3 43.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.944 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt 60.25 37.94 20.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.79 140.61 36.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.057 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -141.61 119.69 12.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.6 m 59.32 27.19 16.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.078 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 13.8 m -106.88 159.09 16.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -124.08 149.98 45.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.817 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.683 ' CD2' HD21 ' A' ' 52' ' ' LEU . 4.4 tp -141.72 127.71 19.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.696 HD12 ' HG2' ' A' ' 44' ' ' ARG . 9.5 mt -131.52 99.99 5.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.737 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 53.0 t -124.37 156.26 37.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.07 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.598 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -72.31 -179.73 34.68 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.448 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.405 ' HG3' ' CE1' ' A' ' 130' ' ' PHE . 12.2 Cg_endo -55.76 111.75 0.86 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.643 2.229 . . . . 0.0 112.19 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.484 HG22 ' N ' ' A' ' 68' ' ' SER . 12.1 p -61.69 158.72 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.113 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.484 ' N ' HG22 ' A' ' 67' ' ' VAL . 2.7 t -70.39 -51.89 26.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.32 -76.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.27 178.52 7.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.558 HG21 ' CG1' ' A' ' 83' ' ' VAL . 21.8 t -120.48 141.29 41.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.008 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -117.45 123.85 47.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.978 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.522 HD21 ' HB2' ' A' ' 76' ' ' CYS . 0.7 OUTLIER -122.43 133.81 54.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -155.58 142.76 19.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 61.02 39.8 15.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.946 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.522 ' HB2' HD21 ' A' ' 73' ' ' LEU . 49.4 m -112.02 135.03 53.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.57 138.1 28.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.974 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 59.28 29.27 18.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.582 ' HB2' HG23 ' A' ' 96' ' ' THR . 69.7 m -106.32 157.38 17.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.4 t -125.05 89.94 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.964 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.442 ' CD1' HD22 ' A' ' 54' ' ' LEU . 2.6 tp -83.84 150.18 25.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -152.61 99.1 2.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.093 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 65' ' ' GLY . 11.0 p -169.14 128.96 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.96 141.63 40.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.5 p -153.82 167.15 30.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.15 -31.87 38.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -150.31 130.79 13.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.43 HD23 HD11 ' A' ' 90' ' ' ILE . 34.2 tp -103.54 144.04 31.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.947 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -128.56 104.92 7.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.723 ' HB ' HG12 ' A' ' 108' ' ' VAL . 9.6 mt -109.33 147.64 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.064 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -160.32 130.96 5.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.975 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 m 59.77 31.68 20.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.5 m -101.67 149.09 24.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.25 131.76 5.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 59.2 35.78 23.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.582 HG23 ' HB2' ' A' ' 79' ' ' CYS . 60.4 m -113.36 111.87 22.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -69.91 121.2 16.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.965 HG22 HD22 ' A' ' 100' ' ' LEU . 22.9 mt -125.5 104.3 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -98.51 108.15 20.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.965 HD22 HG22 ' A' ' 98' ' ' ILE . 2.2 pt? -151.97 179.97 8.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.977 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -138.48 90.06 2.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.807 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 16.6 m -80.52 144.31 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 75.6 p -107.68 -29.46 9.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.7 m -93.9 -76.75 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.1 mtt85 -166.33 172.7 10.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.963 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.663 ' HB3' HG12 ' A' ' 145' ' ' VAL . . . -134.69 113.25 11.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.039 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.523 HG23 ' CE1' ' A' ' 148' ' ' PHE . 2.7 mp -81.88 139.04 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.723 HG12 ' HB ' ' A' ' 90' ' ' ILE . 7.0 m -145.33 122.0 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.086 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -125.64 131.99 52.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.85 31.41 21.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 62.5 m -96.16 148.94 22.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.24 134.37 11.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.923 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.41 36.03 92.69 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.559 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 28.1 mm -78.24 138.99 19.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.847 0.356 . . . . 0.0 111.05 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.445 ' NE2' HD13 ' A' ' 163' ' ' LEU . 0.0 OUTLIER -99.84 100.38 11.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.837 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -96.9 133.08 42.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.472 ' HB1' ' HD2' ' A' ' 118' ' ' PRO . . . -156.97 158.45 31.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.472 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 53.9 Cg_endo -69.48 150.79 70.34 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.503 2.135 . . . . 0.0 112.338 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -60.24 148.12 37.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 29.7 m -143.11 91.48 2.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -175.26 98.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.4 m -104.42 146.81 28.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.958 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.44 ' CG ' ' HD2' ' A' ' 124' ' ' PRO . 0.2 OUTLIER -132.5 161.06 65.52 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.757 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' A' ' 123' ' ' TYR . 41.5 Cg_endo -67.59 -26.93 39.4 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.589 2.193 . . . . 0.0 112.211 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -127.29 39.65 3.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.784 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.448 HD11 ' HE1' ' A' ' 130' ' ' PHE . 2.5 tt -83.13 -26.93 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.196 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.56 -30.42 60.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.09 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -78.58 -31.07 47.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.794 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.66 -49.85 67.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.448 ' HE1' HD11 ' A' ' 126' ' ' ILE . 7.0 m-85 -62.77 -32.48 73.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -70.11 -46.03 65.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.2 m -65.64 -35.84 81.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.2 p -76.95 -31.92 56.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.86 28.45 38.06 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.521 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 12.5 mt -79.23 -178.72 6.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.78 0.324 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.65 147.66 43.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -132.56 46.46 2.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.755 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 7.6 t -152.61 -44.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.03 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -50.9 -75.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.168 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 59.79 109.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -151.9 34.79 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 59.5 p-90 -59.09 -28.66 66.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.032 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -60.06 -32.61 71.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.938 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.94 126.2 33.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.663 HG12 ' HB3' ' A' ' 106' ' ' ALA . 7.2 m -143.93 144.44 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -92.62 119.37 31.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -98.76 120.99 40.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.523 ' CE1' HG23 ' A' ' 107' ' ' ILE . 38.6 m-85 -100.15 31.36 3.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -127.16 -48.43 1.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 26.8 t-105 -125.63 102.04 7.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.47 135.74 57.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -74.78 105.45 5.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -111.41 -74.63 0.64 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -125.83 -44.96 1.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 6.6 mmm -98.42 141.95 30.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -66.6 163.18 19.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 31.4 m -103.15 92.93 4.12 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -68.67 63.64 1.23 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.517 2.145 . . . . 0.0 112.283 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -100.22 -59.54 1.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 47.5 p-90 -99.52 173.73 6.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.788 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.62 158.81 43.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.949 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 23.0 mt -103.86 152.52 6.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.07 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.682 HD21 ' O ' ' A' ' 167' ' ' GLU . 27.3 tp -87.03 115.59 63.12 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.11 -175.3 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.371 2.047 . . . . 0.0 112.339 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.49 63.04 2.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.813 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -153.37 -44.58 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.682 ' O ' HD21 ' A' ' 163' ' ' LEU . 4.8 mt-10 -98.0 31.03 2.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 168' ' ' ARG . . . . . 0.67 ' O ' HD12 ' A' ' 170' ' ' ILE . 4.9 mtm180 -88.83 -28.61 20.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.939 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -80.18 107.2 12.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 170' ' ' ILE . . . . . 0.67 HD12 ' O ' ' A' ' 168' ' ' ARG . 3.1 mp -120.2 131.59 72.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 10.0 pm0 -71.88 102.63 2.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 172' ' ' TRP . . . . . . . . . . . . . 26.0 m95 -79.45 -53.66 6.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -133.69 98.89 4.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.89 -64.2 1.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 73.21 140.05 0.42 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.523 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.52 -168.29 0.52 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.556 2.17 . . . . 0.0 112.37 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.15 54.19 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -100.01 122.91 43.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.359 -1.245 . . . . 0.0 112.461 179.96 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 p -111.27 -61.62 1.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 0.0 110.931 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -112.73 -178.31 3.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.2 -85.0 0.26 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.513 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.19 128.08 36.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.834 0.35 . . . . 0.0 110.85 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 t -168.29 -178.74 3.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.66 177.14 45.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.445 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.7 p -96.18 177.06 5.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.802 0.334 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 79.9 m95 -85.28 159.42 20.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.5 t 61.13 78.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.3 t -163.77 113.99 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -96.65 -151.41 27.96 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.515 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -117.38 150.24 39.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.799 0.333 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 72.1 p -169.44 167.83 9.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.0 m120 60.76 34.12 19.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.505 HD22 ' OE1' ' A' ' 19' ' ' GLN . 25.5 mt -116.33 141.5 48.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -142.01 133.6 26.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.7 m 59.83 31.54 20.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.505 ' OE1' HD22 ' A' ' 16' ' ' LEU . 11.9 mt-30 -108.83 172.16 7.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.05 109.57 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.649 HD12 HG22 ' A' ' 43' ' ' VAL . 16.5 mt -99.58 142.56 30.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -139.49 137.01 35.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.601 ' HD2' HD21 ' A' ' 28' ' ' LEU . 9.6 mttm -140.98 150.68 43.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -121.95 179.98 4.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.62 -35.5 72.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.57 -34.74 67.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.32 -30.71 54.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.601 HD21 ' HD2' ' A' ' 23' ' ' LYS . 61.7 mt -84.0 -59.81 2.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 64.87 31.76 11.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.734 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 62.0 77.62 0.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.948 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.42 177.28 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.93 137.4 36.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.959 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -120.66 106.43 18.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.082 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.0 tp -93.34 124.92 37.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.456 ' HB3' HD11 ' A' ' 38' ' ' LEU . 25.4 mt -136.95 107.68 6.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.0 t -148.35 168.14 23.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.963 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 60.0 39.38 20.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.456 HD11 ' HB3' ' A' ' 35' ' ' LEU . 1.0 OUTLIER -111.04 173.53 6.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.2 m -170.0 113.8 0.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 63.21 35.77 12.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.5 t -109.5 120.17 41.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.29 141.48 30.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.649 HG22 HD12 ' A' ' 21' ' ' LEU . 21.6 t -140.1 126.63 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -128.16 99.94 5.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.483 HD12 ' HB2' ' A' ' 64' ' ' CYS . 11.5 mt -93.61 155.29 17.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -139.75 112.65 8.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 143.82 -132.67 5.01 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.536 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -152.2 86.32 4.46 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 120.7 0.286 . . . . 0.0 110.846 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.02 156.75 61.92 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.577 2.185 . . . . 0.0 112.261 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.81 -67.84 0.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.9 m -136.9 120.45 17.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.787 HD11 HD21 ' A' ' 62' ' ' LEU . 23.4 tp -91.5 130.87 37.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.0 131.16 36.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.498 HD23 HD11 ' A' ' 73' ' ' LEU . 6.8 tp -143.32 113.94 7.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.6 p -137.96 155.41 48.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.27 31.49 19.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.975 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.89 148.75 22.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -142.07 118.17 10.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 75.4 m 59.62 28.45 17.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.975 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 36.1 m -103.04 137.46 41.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -103.8 156.12 18.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.787 HD21 HD11 ' A' ' 52' ' ' LEU . 24.5 tp -154.64 119.01 4.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.944 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.521 HD23 ' HB3' ' A' ' 82' ' ' ALA . 98.2 mt -126.83 99.98 5.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.483 ' HB2' HD12 ' A' ' 45' ' ' LEU . 53.8 t -131.62 156.24 46.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.951 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.9 -179.86 7.6 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.54 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.714 ' HB2' HD12 ' A' ' 135' ' ' LEU . 18.9 Cg_endo -58.1 122.35 11.56 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.641 2.228 . . . . 0.0 112.297 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.488 HG22 ' N ' ' A' ' 68' ' ' SER . 13.5 p -64.78 159.07 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.488 ' N ' HG22 ' A' ' 67' ' ' VAL . 3.5 m -74.04 -51.93 14.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.1 p -100.16 -79.1 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.002 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.2 m -163.89 -179.93 6.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.516 HG22 ' HB3' ' A' ' 52' ' ' LEU . 15.1 t -130.67 142.05 44.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -116.94 164.04 15.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.498 HD11 HD23 ' A' ' 54' ' ' LEU . 2.6 tp -152.02 138.4 18.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.769 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -155.99 135.12 12.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.077 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.25 39.97 18.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.994 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.428 ' HB3' HG21 ' A' ' 96' ' ' THR . 3.8 m -108.65 135.83 49.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.7 t -148.51 137.44 21.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 58.72 29.04 18.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.992 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.407 ' HB2' HG23 ' A' ' 96' ' ' THR . 31.7 m -106.72 150.44 26.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.39 90.07 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.074 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.412 HD13 HD13 ' A' ' 73' ' ' LEU . 4.3 tt -100.96 123.97 45.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.587 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -130.17 110.07 11.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.647 HG11 HD22 ' A' ' 52' ' ' LEU . 3.7 m -160.48 128.93 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.413 ' HB3' ' HB3' ' A' ' 66' ' ' PRO . . . -74.71 133.18 42.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.43 ' HB3' HG12 ' A' ' 67' ' ' VAL . 31.7 p -153.3 165.43 35.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -81.12 -36.43 30.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -133.26 150.51 51.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.833 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.848 HD13 HD13 ' A' ' 100' ' ' LEU . 15.8 tp -125.59 148.65 48.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -140.43 119.19 12.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.613 ' HB ' HG12 ' A' ' 108' ' ' VAL . 27.3 mt -125.76 156.27 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.442 ' N ' HG22 ' A' ' 90' ' ' ILE . 0.8 OUTLIER -166.21 135.52 3.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.4 m 55.21 28.54 11.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.192 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.435 HG23 ' OG1' ' A' ' 96' ' ' THR . 90.2 m -97.14 138.15 35.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.781 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -147.26 128.75 14.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.953 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.06 40.07 22.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.968 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.435 ' OG1' HG23 ' A' ' 93' ' ' THR . 3.3 m -112.15 102.21 10.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.956 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -66.06 127.23 31.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.807 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.814 HG22 HD22 ' A' ' 100' ' ' LEU . 6.5 mt -129.05 124.84 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.154 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.504 ' CG ' ' HB3' ' A' ' 117' ' ' ALA . 12.5 m-85 -113.65 89.95 3.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.71 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.848 HD13 HD13 ' A' ' 88' ' ' LEU . 2.6 pt? -131.1 178.9 6.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.075 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.81 89.98 2.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.723 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.462 HG11 ' HB2' ' A' ' 106' ' ' ALA . 15.1 m -74.0 136.12 26.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.174 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 52.8 p -95.35 -31.4 13.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.86 -78.52 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.1 -179.98 8.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.462 ' HB2' HG11 ' A' ' 102' ' ' VAL . . . -141.27 144.91 34.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.999 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.423 ' O ' HG13 ' A' ' 108' ' ' VAL . 23.4 mt -110.88 145.44 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.203 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.613 HG12 ' HB ' ' A' ' 90' ' ' ILE . 4.8 m -155.91 126.97 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -141.01 143.61 34.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 59.9 30.7 20.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 19.6 m -108.47 160.52 15.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.76 124.53 3.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.94 30.64 42.16 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.528 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 26.6 mm -81.97 133.24 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.792 0.329 . . . . 0.0 111.192 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -109.29 116.35 31.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -99.0 107.44 19.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.504 ' HB3' ' CG ' ' A' ' 99' ' ' PHE . . . -110.21 152.11 42.98 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.135 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.72 152.54 58.91 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.655 2.237 . . . . 0.0 112.344 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -94.96 99.97 11.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.803 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 4.3 p -114.94 30.83 7.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.981 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.494 ' CZ2' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -79.43 81.85 5.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.765 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 39.2 m -82.3 162.24 22.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.449 ' CD2' ' HD2' ' A' ' 124' ' ' PRO . 0.2 OUTLIER -151.74 148.73 22.36 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.777 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.449 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 77.0 Cg_exo -50.12 -27.8 18.01 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.55 2.166 . . . . 0.0 112.31 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -135.34 62.25 1.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.686 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -103.88 -21.68 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.36 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -52.98 -30.82 37.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.057 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -77.3 -31.07 54.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.827 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.74 -55.61 21.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -64.81 -41.13 96.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -60.11 -42.4 94.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 73.2 m -60.91 -50.94 71.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 91.9 p -69.05 -40.39 78.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 94.96 30.9 8.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.504 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.714 HD12 ' HB2' ' A' ' 66' ' ' PRO . 30.1 mt -98.99 175.04 6.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -115.16 150.72 35.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.8 -35.47 9.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 9.3 t -69.07 -52.32 29.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 15.5 mmtt -59.81 124.44 20.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.807 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -142.02 139.03 32.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.982 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -135.23 25.71 3.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.0 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 13.6 p-90 -63.85 -29.91 71.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.959 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -62.06 -50.7 70.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -82.68 138.75 34.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 21.5 t -146.41 132.3 13.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.118 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -77.48 138.34 39.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -125.35 169.38 12.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -136.31 -47.12 0.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.947 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -73.97 75.72 1.68 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' TRP . . . . . 0.541 ' NE1' ' HB3' ' A' ' 152' ' ' ALA . 17.6 t90 -131.7 129.79 41.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.39 31.74 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.541 ' HB3' ' NE1' ' A' ' 150' ' ' TRP . . . -85.62 -48.45 8.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.033 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 60.39 32.19 20.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -175.69 -40.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 1.7 mtp -116.12 155.41 28.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -58.26 -171.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.195 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 75.7 m -105.0 90.96 3.97 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.71 62.5 2.3 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.534 2.156 . . . . 0.0 112.327 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -112.49 -43.42 3.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.818 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 57.8 p-90 -109.42 173.48 6.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.73 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -151.01 164.69 35.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 23.8 mt -107.06 125.47 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.031 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.422 HD23 ' CG ' ' A' ' 168' ' ' ARG . 6.6 tp -60.41 135.51 91.57 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.15 -169.81 0.43 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.503 2.135 . . . . 0.0 112.261 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -91.46 -31.62 15.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -65.97 -30.65 71.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -90.38 -28.13 18.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.013 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 168' ' ' ARG . . . . . 0.422 ' CG ' HD23 ' A' ' 163' ' ' LEU . 0.6 OUTLIER -56.96 -30.77 64.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.959 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -71.23 87.25 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 5.9 mt -124.45 139.17 51.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.053 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -96.2 166.41 11.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 172' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -119.47 40.74 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.06 39.82 1.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 2.7 m -89.8 52.52 2.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -140.68 104.44 0.39 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.465 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.47 139.33 48.88 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.508 2.139 . . . . 0.0 112.293 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.26 122.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 20.0 p -154.22 135.98 14.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.5 -179.965 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.35 -66.58 1.03 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.864 0.364 . . . . 0.0 110.956 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.7 p -60.31 -51.14 70.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.34 -136.51 13.25 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.533 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.3 t -162.67 151.17 14.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.836 0.351 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -63.67 -52.53 60.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.27 66.59 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.546 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.3 t -85.04 113.87 21.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -106.02 -179.47 3.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.553 ' O ' HG12 ' A' ' 10' ' ' VAL . 14.2 t -140.53 35.18 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.069 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -153.3 102.49 2.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.31 -80.16 1.31 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.495 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -143.74 142.77 31.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.886 0.374 . . . . 0.0 110.821 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.6 p -166.19 170.28 13.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.5 m120 61.73 33.04 18.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.71 HD13 HD21 ' A' ' 21' ' ' LEU . 13.4 mt -114.13 156.82 23.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -153.6 137.97 16.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.06 36.78 21.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -130.17 170.83 13.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.57 120.19 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.71 HD21 HD13 ' A' ' 16' ' ' LEU . 10.8 mt -100.61 151.08 22.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -144.25 149.4 36.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.472 ' HB2' HD22 ' A' ' 45' ' ' LEU . 12.5 mttp -154.29 161.7 41.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -135.68 176.49 8.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.07 -31.0 71.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.143 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -68.79 -33.68 74.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -85.74 -39.37 17.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.542 HD13 ' HG3' ' A' ' 49' ' ' PRO . 25.5 mt -74.61 -66.18 0.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.956 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 60.57 42.67 13.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 61.85 74.66 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.93 176.99 8.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -92.77 122.27 35.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.691 ' HB ' HD12 ' A' ' 52' ' ' LEU . 21.6 t -93.71 119.01 40.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.8 tp -116.88 104.66 11.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.406 HD12 HD11 ' A' ' 62' ' ' LEU . 55.7 mt -122.38 110.42 15.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.2 t -141.45 169.29 17.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 60.31 39.71 18.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.43 HD23 ' HB2' ' A' ' 16' ' ' LEU . 1.3 mt -118.35 149.19 41.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 m -146.81 121.41 9.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.836 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 60.64 34.46 20.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.7 t -112.95 118.1 33.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.9 m -75.81 140.34 42.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.733 ' HB ' HD12 ' A' ' 62' ' ' LEU . 21.5 t -131.59 122.47 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -127.11 99.99 5.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.472 HD22 ' HB2' ' A' ' 23' ' ' LYS . 46.8 mt -99.09 162.79 12.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -145.64 140.14 27.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.82 -138.54 11.84 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -147.33 79.15 9.87 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.683 0.278 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.542 ' HG3' HD13 ' A' ' 28' ' ' LEU . 50.1 Cg_exo -53.66 -179.66 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.59 2.194 . . . . 0.0 112.294 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -100.67 -46.54 5.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -155.31 99.96 2.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.691 HD12 ' HB ' ' A' ' 33' ' ' VAL . 13.2 tp -71.66 144.12 49.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -148.46 134.97 19.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.58 HD22 ' CD1' ' A' ' 81' ' ' LEU . 4.3 tp -142.06 123.02 14.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.0 p -145.85 158.57 43.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm 59.77 30.85 20.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.86 161.39 13.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.057 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -165.68 121.79 1.35 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.6 m 60.27 31.36 20.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.988 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 34.1 m -111.4 149.36 31.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -113.3 124.28 52.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.733 HD12 ' HB ' ' A' ' 43' ' ' VAL . 6.8 tp -114.3 126.56 55.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.539 HD23 ' HB3' ' A' ' 82' ' ' ALA . 2.4 mt -134.95 103.64 5.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 52.7 t -134.9 156.26 49.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.006 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.401 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -65.57 -179.84 9.02 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.414 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -60.69 121.73 10.17 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.607 2.205 . . . . 0.0 112.237 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.633 HG12 ' HB3' ' A' ' 85' ' ' CYS . 11.2 p -70.54 158.56 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.487 ' N ' HG22 ' A' ' 67' ' ' VAL . 0.9 OUTLIER -63.28 -54.73 32.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 p -106.57 -75.25 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.2 m -161.97 -179.97 7.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.88 HG21 HG11 ' A' ' 83' ' ' VAL . 21.7 t -115.68 157.45 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.464 ' N ' HG12 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -120.35 139.53 52.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.602 HD23 HG23 ' A' ' 90' ' ' ILE . 2.8 tp -138.68 123.97 19.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -149.28 138.67 21.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 61.9 37.37 15.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 28.8 m -106.52 140.3 39.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.0 t -152.59 134.67 14.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.973 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 60.49 38.12 19.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 42.1 m -116.5 167.47 11.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 20.3 t -132.66 90.72 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.054 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.58 ' CD1' HD22 ' A' ' 54' ' ' LEU . 1.0 OUTLIER -86.58 123.89 32.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.913 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.539 ' HB3' HD23 ' A' ' 63' ' ' LEU . . . -127.13 98.38 5.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.88 HG11 HG21 ' A' ' 71' ' ' VAL . 11.7 p -157.86 124.64 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.95 147.18 43.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.633 ' HB3' HG12 ' A' ' 67' ' ' VAL . 23.0 p -169.38 -179.94 3.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.476 ' HG3' HD21 ' A' ' 135' ' ' LEU . 36.1 mt-30 -94.81 -31.7 13.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.15 161.63 36.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.826 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.536 HD22 HD11 ' A' ' 100' ' ' LEU . 20.7 tp -143.01 151.0 40.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.41 ' HD2' ' CE1' ' A' ' 72' ' ' PHE . 3.5 mtt180 -140.59 122.8 15.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.602 HG23 HD23 ' A' ' 73' ' ' LEU . 4.7 mt -127.57 158.31 39.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.03 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.488 ' N ' HG22 ' A' ' 90' ' ' ILE . 58.9 t-80 -168.61 138.92 2.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 59.32 30.41 20.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.557 ' O ' HD11 ' A' ' 114' ' ' ILE . 49.0 m -104.95 135.11 46.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.4 ttpp -143.12 131.21 21.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.2 t0 59.84 39.4 20.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 23.2 m -111.05 142.05 43.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.5 mtm-85 -99.91 136.64 39.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.026 HG22 HD22 ' A' ' 100' ' ' LEU . 19.9 mt -137.94 108.95 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.066 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -106.87 95.8 5.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.935 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 1.026 HD22 HG22 ' A' ' 98' ' ' ILE . 2.3 pt? -141.43 170.78 15.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -123.34 90.0 3.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.849 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 8.7 m -76.83 120.78 27.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.178 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 28.3 p -77.57 -31.24 52.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.2 m -101.7 -75.25 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.2 165.38 2.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -110.0 179.26 4.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 23.9 mt -148.64 139.15 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.4 m -137.7 146.52 27.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -149.18 129.27 13.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.44 33.13 20.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 70.9 m -102.35 170.13 8.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -170.0 122.29 0.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.65 32.93 39.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.518 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.557 HD11 ' O ' ' A' ' 93' ' ' THR . 27.0 mm -79.84 153.71 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.819 0.342 . . . . 0.0 111.072 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.438 ' CD ' HD12 ' A' ' 163' ' ' LEU . 3.3 mm100 -120.84 115.08 22.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -102.71 123.79 47.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.471 ' HB1' ' HD2' ' A' ' 118' ' ' PRO . . . -142.08 158.61 61.3 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.031 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.471 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 55.6 Cg_endo -70.09 164.19 35.78 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.616 2.211 . . . . 0.0 112.295 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -68.16 147.73 51.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 21.9 p -148.48 90.93 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -175.66 117.81 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.403 ' O ' ' CG ' ' A' ' 123' ' ' TYR . 3.7 m -130.86 177.29 7.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.022 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.403 ' CG ' ' O ' ' A' ' 122' ' ' SER . 3.6 m-85 -170.92 165.33 4.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.811 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -47.5 -45.82 22.07 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.676 2.25 . . . . 0.0 112.451 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -118.55 72.84 0.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.855 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 8.5 tp -93.1 -29.54 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.146 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.07 -40.46 85.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -31.96 69.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.59 -65.52 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.434 ' CD2' ' HD2' ' A' ' 137' ' ' ARG . 76.5 m-85 -59.21 -33.03 70.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -71.37 -34.95 70.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.3 m -69.15 -31.4 70.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 45.5 p -84.63 -45.38 12.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 108.49 31.71 3.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.476 HD21 ' HG3' ' A' ' 86' ' ' GLN . 5.7 mt -100.21 170.61 8.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 0.0 110.918 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.92 146.52 46.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.434 ' HD2' ' CD2' ' A' ' 130' ' ' PHE . 9.0 mtp180 -115.15 31.35 6.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 14.0 m -127.09 19.59 7.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -146.8 101.05 3.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.25 142.36 32.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.985 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -155.37 39.58 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' TRP . . . . . 0.475 ' CZ3' HG23 ' A' ' 162' ' ' ILE . 33.9 p-90 -66.85 -32.49 73.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -63.89 -47.02 82.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.26 119.61 8.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.957 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 6.2 m -152.24 148.22 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -97.78 169.94 9.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -137.64 163.39 31.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -147.58 42.6 1.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -158.84 -45.64 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 57.0 t-105 -111.02 142.56 42.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.48 HD23 ' HB2' ' A' ' 153' ' ' ARG . 0.2 OUTLIER -66.14 134.51 52.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -108.29 45.88 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' ARG . . . . . 0.48 ' HB2' HD23 ' A' ' 151' ' ' LEU . 4.7 ttp180 -113.11 94.2 4.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.6 35.95 19.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -156.79 126.72 6.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -67.97 119.55 12.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.096 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.52 111.46 9.63 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.41 -15.79 47.56 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.483 2.122 . . . . 0.0 112.504 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -50.06 -45.4 52.36 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.264 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -124.45 169.54 11.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.049 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 1.6 p -145.88 179.97 7.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 162' ' ' ILE . . . . . 0.475 HG23 ' CZ3' ' A' ' 142' ' ' TRP . 24.3 mt -113.41 138.29 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.438 HD12 ' CD ' ' A' ' 115' ' ' GLN . 3.4 tp -68.03 128.56 93.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.25 171.43 0.39 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.461 2.108 . . . . 0.0 112.249 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -101.52 28.03 5.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -119.74 -37.81 3.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -96.39 37.89 1.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.974 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.38 -38.12 16.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -90.02 88.52 7.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.807 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 2.6 mt -98.13 -28.24 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.266 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 64.35 172.79 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 172' ' ' TRP . . . . . 0.448 ' CZ2' HD21 ' A' ' 63' ' ' LEU . 82.3 m95 -137.65 82.45 1.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -176.44 -60.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 3.5 m 60.68 -179.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.964 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -72.08 114.27 4.92 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.51 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -51.08 -30.98 33.54 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.425 2.083 . . . . 0.0 112.335 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.3 30.07 3.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 20.7 t 58.63 -169.71 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.956 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.42 -1.211 . . . . 0.0 112.515 -179.973 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -149.6 177.43 9.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 p -169.83 168.02 9.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.14 173.32 43.44 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.505 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.6 p -171.92 -43.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.351 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -101.85 -57.18 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.92 -34.84 0.22 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.413 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.1 t -160.0 177.1 11.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.349 . . . . 0.0 110.95 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -159.55 38.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.3 81.22 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.209 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.7 t -112.64 -60.27 1.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.37 -140.98 30.4 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.535 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -132.52 148.25 52.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.818 0.342 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.3 m -164.5 169.89 16.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 29.4 m120 60.75 39.9 16.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.457 HD22 ' OE1' ' A' ' 19' ' ' GLN . 69.1 mt -125.09 151.77 45.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -149.1 127.23 12.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.71 34.13 20.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.457 ' OE1' HD22 ' A' ' 16' ' ' LEU . 1.8 mt-30 -108.2 174.91 5.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.3 t -127.07 126.19 67.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.052 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.703 HD12 HG22 ' A' ' 43' ' ' VAL . 13.5 mt -120.21 142.93 48.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -142.71 140.85 31.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -141.22 146.72 37.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.641 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -115.25 178.79 4.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.77 -31.37 72.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.3 -34.26 67.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -76.76 -46.49 24.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.702 HD23 ' HD2' ' A' ' 31' ' ' ARG . 1.1 mt -72.15 -73.76 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.2 t60 61.29 51.72 4.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.416 ' HA ' ' HA ' ' A' ' 49' ' ' PRO . 42.3 mt-30 59.63 74.12 0.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.979 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.702 ' HD2' HD23 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -132.52 167.23 20.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.884 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.58 103.12 15.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.851 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.599 HG22 HH11 ' A' ' 31' ' ' ARG . 16.9 t -76.94 120.25 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.2 tp -111.91 134.44 53.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.543 ' HB2' HD12 ' A' ' 54' ' ' LEU . 14.0 mt -141.67 113.97 8.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.1 t -145.97 162.57 37.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 60.04 33.21 21.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.455 HD12 ' HB3' ' A' ' 35' ' ' LEU . 40.5 mt -110.77 141.52 43.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.3 m -150.68 123.61 8.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 60.52 37.35 19.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 49.1 t -117.2 141.85 47.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.0 m -94.47 131.52 40.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.703 HG22 HD12 ' A' ' 21' ' ' LEU . 25.6 t -127.27 128.21 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.75 ' O ' HD23 ' A' ' 45' ' ' LEU . 18.6 mtp85 -128.26 144.32 51.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.751 HD12 ' HB2' ' A' ' 64' ' ' CYS . 30.0 mt -142.53 150.68 40.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -143.71 102.12 3.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 163.21 -132.78 2.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.445 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -160.73 83.66 1.99 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.714 0.292 . . . . 0.0 110.844 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.519 ' HB3' HD22 ' A' ' 28' ' ' LEU . 58.6 Cg_endo -71.89 175.08 10.22 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.57 2.18 . . . . 0.0 112.304 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.75 -67.64 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.55 123.37 33.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.626 HD23 HG11 ' A' ' 83' ' ' VAL . 34.5 tp -99.14 131.83 44.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -143.21 137.17 28.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.958 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.543 HD12 ' HB2' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -139.37 118.01 12.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.6 p -136.37 159.66 41.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.028 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.65 37.51 25.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.014 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -108.48 135.14 50.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.131 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -135.79 121.4 19.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.3 m 60.7 27.93 17.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.963 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 61.0 m -103.16 169.25 8.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -135.63 146.09 47.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.508 HD13 ' CD1' ' A' ' 35' ' ' LEU . 10.5 tp -142.87 117.15 9.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.012 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.1 mt -120.54 101.27 7.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.797 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.751 ' HB2' HD12 ' A' ' 45' ' ' LEU . 38.4 t -129.84 157.13 43.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.026 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.629 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -66.9 -179.8 11.96 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.444 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.43 ' HG3' ' CD1' ' A' ' 130' ' ' PHE . 18.4 Cg_endo -58.93 117.52 4.25 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.583 2.189 . . . . 0.0 112.247 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.497 HG22 ' N ' ' A' ' 68' ' ' SER . 12.8 p -58.66 158.89 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.2 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.497 ' N ' HG22 ' A' ' 67' ' ' VAL . 23.1 t -70.93 -52.17 21.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.904 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.42 -77.93 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.081 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.56 -179.94 8.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.983 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.472 HG21 ' CG1' ' A' ' 83' ' ' VAL . 15.0 t -124.77 159.8 30.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.085 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.471 ' N ' HG12 ' A' ' 71' ' ' VAL . 37.4 m-85 -130.73 156.44 44.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.511 HD21 HG21 ' A' ' 96' ' ' THR . 2.2 tp -154.8 109.53 3.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -139.86 143.43 36.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.047 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.96 34.73 13.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 85.8 m -113.18 153.34 28.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.8 m -162.69 139.33 7.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.63 29.21 18.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 56.3 m -105.55 163.78 12.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -130.99 90.07 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.05 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.405 HD21 HG11 ' A' ' 71' ' ' VAL . 3.8 tp -83.11 143.58 30.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -139.65 98.28 3.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 65' ' ' GLY . 10.3 p -167.72 136.89 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.32 142.36 27.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.03 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.405 ' SG ' HD12 ' A' ' 100' ' ' LEU . 27.6 p -154.84 -179.89 8.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.952 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -95.76 -34.14 12.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -139.58 133.15 30.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.847 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.716 HD13 HD13 ' A' ' 100' ' ' LEU . 16.1 tp -115.45 133.73 55.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.969 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.49 121.03 32.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.435 HD12 HG12 ' A' ' 108' ' ' VAL . 18.3 mt -120.42 153.74 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.051 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.438 ' CD2' ' HB3' ' A' ' 109' ' ' GLU . 19.1 m80 -159.96 130.38 5.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.1 m 58.25 32.23 21.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.109 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.587 ' O ' HD11 ' A' ' 114' ' ' ILE . 12.6 m -107.43 143.3 35.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.824 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.01 143.54 19.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.7 t70 59.1 38.32 23.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.511 HG21 HD21 ' A' ' 73' ' ' LEU . 45.3 m -121.09 114.15 21.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 27.5 mtt85 -80.98 111.6 17.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.945 HG22 HD22 ' A' ' 100' ' ' LEU . 26.2 mt -111.03 115.49 50.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.251 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.732 ' CD2' ' HB3' ' A' ' 117' ' ' ALA . 13.4 m-85 -107.13 95.05 5.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.79 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.945 HD22 HG22 ' A' ' 98' ' ' ILE . 2.4 pt? -134.81 175.82 9.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -126.66 90.07 3.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.1 m -80.51 131.56 33.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.159 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 9.5 p -98.31 -30.71 12.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.03 -70.17 0.7 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.21 174.39 1.04 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -131.38 153.65 49.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.069 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 20.5 mt -131.3 146.8 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.178 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.435 HG12 HD12 ' A' ' 90' ' ' ILE . 5.5 m -144.73 116.15 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.103 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.438 ' HB3' ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -115.98 125.29 52.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 59.9 35.21 21.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 59.9 m -105.63 152.99 22.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.955 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 40.0 m -159.27 130.64 6.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.0 34.51 30.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.538 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.587 HD11 ' O ' ' A' ' 93' ' ' THR . 26.5 mm -93.21 156.87 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.796 0.332 . . . . 0.0 111.03 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.447 ' N ' HG22 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -123.9 136.29 54.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -125.98 111.96 15.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.845 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.732 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . . . -131.66 153.85 81.64 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.76 169.73 0.53 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.524 2.15 . . . . 0.0 112.257 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.668 ' O ' HG23 ' A' ' 120' ' ' THR . 75.3 t80 -98.9 144.29 28.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.668 HG23 ' O ' ' A' ' 119' ' ' TYR . 1.2 p -165.67 118.87 1.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.585 ' O ' HD12 ' A' ' 126' ' ' ILE . 0.5 OUTLIER -175.19 139.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.87 -170.14 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.445 ' O ' HG22 ' A' ' 126' ' ' ILE . 0.1 OUTLIER 178.05 -52.95 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.953 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.416 ' HD3' ' CB ' ' A' ' 123' ' ' TYR . 47.8 Cg_exo -56.13 -26.68 61.42 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.371 2.047 . . . . 0.0 112.421 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -138.38 48.19 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.142 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.585 HD12 ' O ' ' A' ' 121' ' ' TRP . 18.1 tt -110.14 -32.05 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.072 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -58.58 -51.67 68.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.84 -31.08 71.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.41 -47.51 83.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.43 ' CD1' ' HG3' ' A' ' 66' ' ' PRO . 7.2 m-85 -67.99 -32.61 73.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.97 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -66.04 -35.11 79.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -46.79 88.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.7 p -81.2 -36.26 30.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 99.79 28.13 7.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.501 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 96.2 mt -89.41 161.06 16.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.03 144.95 39.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 63.1 mtm180 -98.24 29.06 3.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.5 m -121.93 -41.78 2.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.26 141.67 41.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.99 124.2 5.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.823 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.95 40.99 3.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 43.4 p-90 -69.03 -28.58 66.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.961 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -64.13 -45.69 87.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -67.38 132.55 47.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 21.4 t -146.8 140.18 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -95.91 111.27 23.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -92.41 162.0 14.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -145.15 30.3 1.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -154.86 81.47 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -81.18 114.52 20.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.91 138.87 41.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.796 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -69.11 120.1 14.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.039 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -163.45 -50.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -155.39 -60.56 0.11 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 4.6 tpp -177.24 -40.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -71.92 -179.23 2.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 1.3 m -110.86 97.72 35.03 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.818 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.47 94.02 0.37 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.445 2.097 . . . . 0.0 112.359 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -162.14 -62.95 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.584 ' HZ3' HD11 ' A' ' 162' ' ' ILE . 35.0 p-90 -96.87 151.09 20.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 45.0 t -140.24 178.76 7.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' ILE . . . . . 0.584 HD11 ' HZ3' ' A' ' 160' ' ' TRP . 34.7 mm -112.2 158.55 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.48 ' N ' HG22 ' A' ' 162' ' ' ILE . 6.2 tp -102.97 125.07 36.39 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.16 154.89 16.89 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.406 2.07 . . . . 0.0 112.341 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.69 -31.49 70.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -76.41 -22.55 54.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.414 ' O ' HD21 ' A' ' 163' ' ' LEU . 5.1 mt-10 -95.91 29.74 2.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 111.064 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 26.5 mtp180 -107.92 29.31 7.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.021 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -113.29 102.12 10.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 2.1 mt -122.87 117.3 51.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.154 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -59.84 94.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 172' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -64.28 113.57 3.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.953 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 59.56 69.62 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.63 161.12 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.795 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -169.97 -92.37 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.5 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.4 -46.2 1.03 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.534 2.156 . . . . 0.0 112.29 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 6.1 m -164.2 121.09 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.57 31.33 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.542 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.505 ' CD2' HD13 ' A' ' 21' ' ' LEU . 24.4 m-85 -143.77 122.45 12.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.866 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.7 p -146.16 174.64 11.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.1 m120 61.09 39.98 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 mt -126.9 153.73 45.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -147.14 129.26 15.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.96 37.05 21.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -114.74 165.14 13.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.4 t -124.2 136.69 59.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.712 HD12 HG22 ' A' ' 43' ' ' VAL . 13.7 mt -131.39 150.14 52.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -150.53 117.73 5.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.442 ' HD2' HD21 ' A' ' 28' ' ' LEU . 14.0 mttt -118.74 143.48 46.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.15 179.93 4.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.03 -43.72 91.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.036 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 m -62.2 -33.64 74.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -72.63 -59.35 2.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.442 HD21 ' HD2' ' A' ' 23' ' ' LYS . 5.4 mt -63.07 -66.66 0.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.846 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 59.7 52.54 5.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 60.61 81.29 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -144.47 158.48 43.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -82.23 122.61 28.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.824 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.669 ' HB ' HD12 ' A' ' 52' ' ' LEU . 21.5 t -95.87 125.84 48.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.13 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 tp -113.27 112.95 24.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.622 ' HB2' HD12 ' A' ' 54' ' ' LEU . 14.6 mt -127.48 105.28 8.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.3 t -145.4 164.31 31.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 59.87 31.38 20.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.0 mt -105.88 170.86 7.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 m -169.95 123.27 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 61.3 30.31 19.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.803 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.4 t -107.79 125.55 51.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.99 130.86 44.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.712 HG22 HD12 ' A' ' 21' ' ' LEU . 21.6 t -131.06 115.34 29.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -107.49 101.74 11.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.959 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.792 HD12 ' HB2' ' A' ' 64' ' ' CYS . 14.4 mt -92.9 160.11 15.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -156.32 107.91 2.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 159.63 -120.1 0.94 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.555 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -169.21 82.3 0.67 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.721 0.296 . . . . 0.0 110.94 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.54 168.36 22.81 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.57 2.18 . . . . 0.0 112.277 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -77.56 -59.48 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.8 m -143.59 121.4 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.669 HD12 ' HB ' ' A' ' 33' ' ' VAL . 7.4 tp -92.83 145.54 24.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -145.97 124.24 12.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.946 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.622 HD12 ' HB2' ' A' ' 35' ' ' LEU . 6.7 tp -134.07 106.12 7.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.6 p -131.27 157.78 42.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 60.0 35.84 21.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.93 156.97 16.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.065 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -160.41 119.39 2.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 61.6 m 60.8 32.9 20.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 29.6 m -112.62 157.44 21.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.978 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -123.35 135.98 54.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.656 HD21 HD21 ' A' ' 52' ' ' LEU . 15.3 tp -128.97 125.4 37.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.953 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.495 HD23 ' HB3' ' A' ' 82' ' ' ALA . 2.0 mt -133.6 110.12 9.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.792 ' HB2' HD12 ' A' ' 45' ' ' LEU . 44.5 t -144.73 152.3 40.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.011 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.2 -179.86 2.24 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.449 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.537 ' HB2' HD12 ' A' ' 135' ' ' LEU . 18.5 Cg_endo -59.98 114.77 2.23 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.562 2.175 . . . . 0.0 112.153 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.479 HG22 ' N ' ' A' ' 68' ' ' SER . 11.5 p -57.59 158.48 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.479 ' N ' HG22 ' A' ' 67' ' ' VAL . 26.3 t -72.38 -51.7 19.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 p -102.71 -79.04 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.963 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -163.97 179.92 6.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.826 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.564 HG22 ' HB3' ' A' ' 52' ' ' LEU . 21.4 t -126.47 158.99 36.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.008 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.484 ' N ' HG12 ' A' ' 71' ' ' VAL . 39.8 m-85 -128.01 151.47 49.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.966 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.58 HD11 HD23 ' A' ' 54' ' ' LEU . 2.0 tp -145.2 130.25 18.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 62.5 tt0 -157.53 141.13 15.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 61.67 36.65 16.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 92.8 m -111.33 143.5 42.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.7 t -153.25 134.98 14.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 60.95 37.98 17.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.018 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.612 ' HB2' HG23 ' A' ' 96' ' ' THR . 59.7 m -117.28 165.94 12.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.23 100.19 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.17 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.509 ' HB3' HG23 ' A' ' 98' ' ' ILE . 1.5 tp -95.94 116.05 28.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.495 ' HB3' HD23 ' A' ' 63' ' ' LEU . . . -117.83 97.38 5.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.456 HG13 ' O ' ' A' ' 83' ' ' VAL . 11.2 p -165.45 122.12 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.33 138.74 40.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 13.2 p -151.02 176.29 11.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -85.92 -31.09 22.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -147.98 135.21 20.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.473 HD23 ' HE1' ' A' ' 116' ' ' PHE . 26.8 tp -116.48 125.35 51.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -115.29 118.57 33.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 91' ' ' HIS . 3.5 mt -120.96 158.45 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.486 ' N ' HG22 ' A' ' 90' ' ' ILE . 17.5 t-80 -168.3 133.62 1.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.78 35.2 19.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 63.6 m -107.92 149.15 28.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.4 pttt -157.57 134.43 10.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.949 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 59.01 31.11 21.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.612 HG23 ' HB2' ' A' ' 79' ' ' CYS . 5.8 m -111.62 101.65 10.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -67.6 136.49 54.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.725 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.808 HG22 HD22 ' A' ' 100' ' ' LEU . 18.5 mt -136.04 102.53 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.738 ' CD2' ' HB3' ' A' ' 117' ' ' ALA . 45.4 m-85 -97.08 107.42 19.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.808 HD22 HG22 ' A' ' 98' ' ' ILE . 2.4 pt? -151.2 -179.98 7.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -128.41 91.78 3.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 10.0 m -76.66 124.7 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.173 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.1 p -83.21 -33.01 26.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.39 -74.26 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.533 ' NE ' HD11 ' A' ' 107' ' ' ILE . 0.0 OUTLIER -177.03 171.76 2.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.817 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -121.19 154.9 35.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.087 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.533 HD11 ' NE ' ' A' ' 105' ' ' ARG . 27.7 mm -124.46 137.83 55.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 146' ' ' ASP . 9.4 m -135.83 143.39 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.412 ' HB3' ' CD2' ' A' ' 91' ' ' HIS . 8.2 tt0 -150.43 127.02 10.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.937 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.13 37.23 20.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 60.3 m -115.86 150.58 36.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.0 m -148.0 132.16 17.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.2 29.07 51.85 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.462 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 23.7 mm -82.51 153.43 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.733 0.301 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.554 ' NE2' HD13 ' A' ' 163' ' ' LEU . 10.5 mt-30 -128.64 136.39 50.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.473 ' HE1' HD23 ' A' ' 88' ' ' LEU . 76.5 m-85 -125.61 105.89 9.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.738 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . . . -121.53 149.4 52.53 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.171 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.03 164.35 1.71 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.59 2.194 . . . . 0.0 112.327 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -86.57 106.56 17.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.822 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.4 t -120.65 106.78 12.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.43 ' CZ2' ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -158.64 124.94 4.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 35.6 m -104.97 154.44 20.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.454 ' CG ' ' HD2' ' A' ' 124' ' ' PRO . 0.3 OUTLIER -176.97 151.8 0.98 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.454 ' HD2' ' CG ' ' A' ' 123' ' ' TYR . 66.2 Cg_exo -51.27 -26.87 21.47 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.624 2.216 . . . . 0.0 112.362 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -131.84 53.13 2.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 4.3 tp -95.97 -39.35 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.083 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.53 -38.95 71.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -68.76 -29.97 68.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -59.09 -44.87 91.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -61.66 -31.11 71.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -63.5 -34.35 77.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.0 m -60.19 -69.92 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -31.11 69.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.953 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 86.75 28.17 27.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.561 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.537 HD12 ' HB2' ' A' ' 66' ' ' PRO . 46.8 mt -84.11 157.79 21.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.787 0.327 . . . . 0.0 110.889 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.36 132.2 35.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 5.8 ttt-85 -97.97 33.99 2.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.94 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 23.1 t -143.89 -70.28 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -63.44 123.55 19.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -163.11 127.21 2.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.01 74.98 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' TRP . . . . . 0.661 ' CZ3' HD12 ' A' ' 162' ' ' ILE . 43.3 p-90 -84.43 -29.18 26.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -68.3 -31.88 71.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.792 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.88 119.94 31.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 146' ' ' ASP . 21.5 t -141.27 155.98 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.181 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . 0.468 ' O ' HG22 ' A' ' 108' ' ' VAL . 0.5 OUTLIER -99.18 130.4 45.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.964 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -109.02 163.58 13.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.984 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 21.4 m . . . . . 0 CA--C 1.529 0.17 0 CA-C-O 120.509 0.195 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -72.68 61.7 3.68 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.362 2.042 . . . . 0.0 112.348 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -107.62 -58.66 1.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.977 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 34.8 p-90 -103.87 154.83 19.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 42.6 t -148.27 178.84 8.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . 0.661 HD12 ' CZ3' ' A' ' 142' ' ' TRP . 27.4 mm -115.55 152.89 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.554 HD13 ' NE2' ' A' ' 115' ' ' GLN . 10.3 tp -96.93 138.42 21.31 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . 0.468 ' HD2' HD12 ' A' ' 163' ' ' LEU . 48.7 Cg_endo -68.94 179.87 2.99 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.481 2.121 . . . . 0.0 112.264 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -96.38 41.82 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -122.6 -42.17 2.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -102.65 29.72 5.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.006 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . 0.456 ' HD2' HD23 ' A' ' 163' ' ' LEU . 40.2 mmm-85 -78.39 -31.54 48.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -95.88 109.81 22.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.816 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 3.8 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 -179.935 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -109.75 134.97 51.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.351 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 72.2 m -154.11 172.22 17.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 60.99 34.77 19.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 mp -118.94 145.11 46.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -138.34 132.65 31.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.3 t 60.07 35.95 21.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -119.12 172.33 7.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.3 t -130.37 139.78 50.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.097 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.578 HD12 HG22 ' A' ' 43' ' ' VAL . 7.6 mt -130.44 142.83 50.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -146.09 151.89 38.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -147.05 148.7 31.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.3 tpp180 -105.32 174.7 5.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.69 -52.97 54.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 m -61.91 -32.92 73.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -66.24 -41.08 90.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.2 mt -86.08 -71.97 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 62.85 61.32 1.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.835 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 60.73 79.34 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -142.97 157.4 44.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -85.44 136.03 33.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -117.06 125.23 73.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.2 tp -115.36 124.04 50.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.537 HD22 HG21 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -135.03 111.74 10.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.98 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 t -147.03 166.22 27.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 59.99 38.91 20.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.0 mt -114.55 145.7 41.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -140.37 122.39 15.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 61.41 36.44 17.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.781 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.3 t -109.58 158.42 18.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.5 p -122.15 143.96 49.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.745 ' HB ' HD12 ' A' ' 62' ' ' LEU . 20.7 t -140.42 134.28 34.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.123 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 45.6 mtp180 -142.95 106.64 4.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.0 mt -97.31 159.92 14.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.81 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -142.07 127.12 18.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 129.84 -117.79 2.43 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.547 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -160.13 88.42 1.87 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.769 0.318 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -69.17 161.41 45.97 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.527 2.151 . . . . 0.0 112.298 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -76.6 -68.8 0.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.953 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.6 m -140.21 111.67 7.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.869 HD21 HD21 ' A' ' 62' ' ' LEU . 54.8 tp -77.3 153.04 34.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -153.3 114.26 4.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.552 HD23 HD11 ' A' ' 73' ' ' LEU . 6.6 tp -129.36 109.48 11.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.9 p -133.39 154.99 50.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.7 mttm 60.61 32.7 20.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.948 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.01 139.55 30.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.054 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 42.1 t-80 -141.03 120.41 13.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.6 m 58.87 30.06 19.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.037 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 67.1 m -106.74 155.82 19.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -119.78 143.59 47.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.869 HD21 HD21 ' A' ' 52' ' ' LEU . 3.5 tp -148.21 117.5 6.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.9 mp -133.47 112.29 11.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 5.9 p -139.76 170.24 16.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.949 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.438 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -69.61 -179.9 24.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.428 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.405 ' HG3' ' CD1' ' A' ' 130' ' ' PHE . 27.5 Cg_endo -62.43 128.22 23.05 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.521 2.147 . . . . 0.0 112.25 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.507 HG12 ' HB3' ' A' ' 85' ' ' CYS . 12.9 p -69.57 154.51 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.187 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.402 ' N ' HG22 ' A' ' 67' ' ' VAL . 0.6 OUTLIER -67.22 -49.27 65.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.967 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.57 -79.62 0.56 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.977 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 52.1 m -161.31 -179.99 7.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.08 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.532 HG13 ' HB3' ' A' ' 52' ' ' LEU . 21.4 t -124.52 159.27 30.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.125 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.489 ' N ' HG12 ' A' ' 71' ' ' VAL . 67.9 t80 -127.83 159.49 34.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.962 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.552 HD11 HD23 ' A' ' 54' ' ' LEU . 2.9 tp -154.41 134.52 13.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -158.39 140.44 13.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.18 31.94 20.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.93 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.531 ' O ' HG23 ' A' ' 93' ' ' THR . 1.8 m -98.78 145.33 27.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 t -158.28 133.48 8.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 59.83 31.87 21.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.1 t -107.73 166.93 10.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -134.13 90.05 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.959 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.738 HD21 HG12 ' A' ' 83' ' ' VAL . 6.3 tt -93.75 114.77 27.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.954 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -116.14 97.28 5.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.738 HG12 HD21 ' A' ' 81' ' ' LEU . 11.9 p -156.33 126.51 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.07 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.35 139.87 41.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.507 ' HB3' HG12 ' A' ' 67' ' ' VAL . 30.7 p -158.93 171.91 19.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -82.13 -47.49 12.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.768 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -127.99 150.63 49.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.82 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.836 HD22 HD11 ' A' ' 100' ' ' LEU . 23.6 tp -126.09 143.27 51.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.95 112.6 12.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.601 HD11 ' CD2' ' A' ' 88' ' ' LEU . 4.3 mt -127.17 142.6 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -155.92 141.66 17.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.03 30.63 20.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.966 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 76' ' ' CYS . 17.7 m -107.98 147.77 30.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.827 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -157.9 142.2 16.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.39 30.33 18.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.6 m -112.15 122.36 47.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.983 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 53.1 mtt180 -94.1 111.26 22.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.818 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.986 HG22 HD22 ' A' ' 100' ' ' LEU . 28.4 mt -106.42 127.67 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.73 ' CD2' ' HB3' ' A' ' 117' ' ' ALA . 65.0 m-85 -118.46 97.41 5.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.986 HD22 HG22 ' A' ' 98' ' ' ILE . 2.2 pt? -143.31 171.39 14.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -121.86 100.25 6.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 141' ' ' ASN . 15.8 m -86.5 122.83 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.174 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 16.1 p -97.02 21.94 9.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.1 m -150.49 -71.22 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.82 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.3 ptt85 -178.11 168.97 1.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -131.84 147.01 52.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.092 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 31.2 mt -112.95 143.03 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.075 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 31.5 m -147.94 147.35 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -151.9 130.34 12.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 59.94 34.8 21.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 72.0 m -105.3 145.05 31.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.6 m -153.83 134.88 13.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.59 28.24 57.71 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.45 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.407 HG22 ' N ' ' A' ' 115' ' ' GLN . 25.6 mm -92.8 154.5 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.822 0.344 . . . . 0.0 111.109 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.407 ' N ' HG22 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -128.1 119.76 26.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -109.15 118.01 35.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.73 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . . . -130.05 163.63 46.18 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.074 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.639 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 55.3 Cg_endo -69.85 148.08 63.73 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.546 2.164 . . . . 0.0 112.315 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -68.61 131.82 45.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 32.6 p -141.14 106.29 4.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.657 ' O ' HD13 ' A' ' 126' ' ' ILE . 0.0 OUTLIER -152.43 86.76 1.29 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.76 117.12 14.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.974 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.411 ' O ' HG22 ' A' ' 126' ' ' ILE . 1.4 t80 -155.54 141.72 13.03 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.48 -33.57 68.1 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.548 2.166 . . . . 0.0 112.322 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 40.0 mp0 -98.92 46.78 0.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.938 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.657 HD13 ' O ' ' A' ' 121' ' ' TRP . 1.2 tp -99.87 -41.21 9.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.432 ' N ' HG23 ' A' ' 126' ' ' ILE . 0.3 OUTLIER -68.18 -25.25 65.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.061 179.876 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.1 mtmt -77.16 -31.18 55.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -76.38 -35.71 58.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.405 ' CD1' ' HG3' ' A' ' 66' ' ' PRO . 26.0 m-85 -80.92 -41.78 22.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.978 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -31.39 70.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.956 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.3 m -71.94 -38.09 69.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 89.9 p -71.87 -49.16 40.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 110.39 28.36 4.09 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.506 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 8.6 mt -93.16 154.91 17.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.348 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.74 126.84 50.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -98.87 31.17 3.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.22 30.76 5.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -129.52 -70.49 0.65 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 60.21 89.8 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . 0.725 ' O ' HG23 ' A' ' 102' ' ' VAL . 1.4 m-20 -134.05 83.15 2.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 49.4 p-90 -107.07 -28.63 9.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -57.72 -31.23 66.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.972 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -75.4 108.39 8.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 28.1 t -125.72 147.37 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.83 134.68 47.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -126.43 157.48 38.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.712 0.291 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.27 83.38 0.99 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.536 2.157 . . . . 0.0 112.289 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -156.46 -55.2 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 41.7 p-90 -107.92 133.46 52.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.26 158.23 19.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 21.5 mt -98.39 141.65 15.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.773 HD21 ' O ' ' A' ' 167' ' ' GLU . 12.8 tp -66.58 136.86 94.94 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -73.47 -167.68 0.39 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.449 2.099 . . . . 0.0 112.264 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -97.91 29.32 3.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -123.05 -40.91 2.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.773 ' O ' HD21 ' A' ' 163' ' ' LEU . 2.9 mm-40 -97.27 28.97 3.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.073 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -86.24 -34.71 20.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.919 0.39 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -78.54 93.08 4.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 2.5 mt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.082 -179.899 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -144.18 143.95 31.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.808 0.337 . . . . 0.0 110.834 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 65.5 p -164.28 169.72 17.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.954 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 60.52 39.16 18.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.0 mt -128.51 143.33 50.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.971 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -145.33 139.74 27.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.947 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.5 t 60.09 38.04 20.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -122.81 169.03 11.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.527 HG12 ' OE2' ' A' ' 22' ' ' GLU . 28.8 t -123.49 108.63 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.596 HD12 HG22 ' A' ' 43' ' ' VAL . 14.9 mt -96.67 147.1 24.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.527 ' OE2' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -154.96 130.44 9.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -130.23 150.08 51.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 mtm-85 -110.87 174.2 5.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.45 -43.41 96.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 m -61.71 -32.21 72.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -74.39 -39.49 62.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.473 HD12 ' O ' ' A' ' 46' ' ' TYR . 40.9 mt -72.07 -63.77 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 60.21 37.09 20.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 60.62 92.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.7 mtt180 -154.97 -178.16 7.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -99.52 121.07 40.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.53 ' HB ' HD12 ' A' ' 52' ' ' LEU . 21.5 t -95.96 127.37 48.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.422 HD12 ' HD3' ' A' ' 53' ' ' ARG . 1.6 tp -125.14 105.26 9.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.85 ' HB2' HD12 ' A' ' 54' ' ' LEU . 1.7 mt -113.72 129.21 56.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.9 t -151.62 165.18 35.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 61.09 37.28 17.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.532 HD11 ' HB3' ' A' ' 35' ' ' LEU . 85.3 mt -103.83 145.84 29.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.4 117.78 5.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 60.81 36.06 19.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 12.7 t -116.99 143.08 46.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.08 150.24 25.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.596 HG22 HD12 ' A' ' 21' ' ' LEU . 21.4 t -144.84 142.26 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.8 mtt-85 -142.48 105.67 4.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.642 HD12 ' HB3' ' A' ' 64' ' ' CYS . 7.6 mt -98.05 153.76 18.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.473 ' O ' HD12 ' A' ' 28' ' ' LEU . 87.1 m-85 -141.8 140.73 33.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 128.37 -112.94 1.51 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.513 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -171.27 82.75 0.5 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.667 0.27 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.6 154.21 68.65 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.56 2.173 . . . . 0.0 112.282 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.42 -51.76 12.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -149.82 127.81 11.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.53 HD12 ' HB ' ' A' ' 33' ' ' VAL . 26.1 tp -93.37 149.29 21.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.422 ' HD3' HD12 ' A' ' 34' ' ' LEU . 13.8 ttt85 -150.77 105.95 3.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.942 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 1.055 HD13 HD22 ' A' ' 62' ' ' LEU . 2.3 tp -122.13 131.79 54.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.796 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.2 p -146.68 164.88 31.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.068 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.8 mtmm 53.86 35.15 20.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.072 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.541 ' HB1' ' SG ' ' A' ' 79' ' ' CYS . . . -90.78 128.34 36.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.075 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -132.87 111.7 11.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.5 m 60.48 32.09 20.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 61.4 m -106.22 172.01 7.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -134.26 135.82 43.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 1.055 HD22 HD13 ' A' ' 54' ' ' LEU . 15.0 tp -133.45 109.16 9.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.713 HD23 ' HB3' ' A' ' 82' ' ' ALA . 6.9 mt -121.9 104.33 9.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.805 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.642 ' HB3' HD12 ' A' ' 45' ' ' LEU . 7.6 p -131.23 164.13 26.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.011 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.9 -179.94 12.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.463 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.609 ' HB2' HD12 ' A' ' 135' ' ' LEU . 36.3 Cg_endo -65.28 115.69 3.47 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.628 2.219 . . . . 0.0 112.284 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.486 HG22 ' N ' ' A' ' 68' ' ' SER . 11.4 p -61.27 158.67 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.182 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.486 ' N ' HG22 ' A' ' 67' ' ' VAL . 11.7 t -71.37 -52.43 18.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.52 -80.54 0.47 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.6 m -165.03 179.92 6.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.861 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.873 HG21 HG11 ' A' ' 83' ' ' VAL . 21.7 t -116.62 159.01 16.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.018 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.486 ' N ' HG12 ' A' ' 71' ' ' VAL . 45.6 m-85 -139.35 104.49 4.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.985 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.722 HD11 HD23 ' A' ' 54' ' ' LEU . 5.4 tp -100.7 132.49 46.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.74 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -149.72 142.42 24.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.15 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 63.24 32.76 14.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.611 ' O ' HG23 ' A' ' 93' ' ' THR . 17.7 m -107.01 134.96 49.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 p -142.5 132.84 24.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.013 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 59.74 39.11 21.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.541 ' SG ' ' HB1' ' A' ' 57' ' ' ALA . 3.9 t -117.51 162.94 17.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.22 93.12 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.697 ' CD1' HD23 ' A' ' 62' ' ' LEU . 11.5 tp -90.96 130.03 36.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.713 ' HB3' HD23 ' A' ' 63' ' ' LEU . . . -131.02 107.72 9.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.973 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.873 HG11 HG21 ' A' ' 71' ' ' VAL . 10.7 p -164.34 122.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.51 126.16 29.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.433 ' SG ' HD12 ' A' ' 100' ' ' LEU . 15.0 p -146.1 171.54 14.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -82.02 -31.1 31.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -146.25 163.39 35.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.422 ' CD2' HD11 ' A' ' 90' ' ' ILE . 32.2 tp -143.52 124.8 14.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 38.5 ttt-85 -122.63 101.99 7.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.987 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 91' ' ' HIS . 2.6 mp -96.33 159.26 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.486 ' N ' HG22 ' A' ' 90' ' ' ILE . 21.1 t-160 -161.36 133.36 5.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.967 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.8 m 60.01 35.16 21.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.042 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.611 HG23 ' O ' ' A' ' 76' ' ' CYS . 67.8 m -112.45 140.8 46.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.27 135.52 22.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.001 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 54.73 39.98 31.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.4 HG21 HD21 ' A' ' 73' ' ' LEU . 24.9 m -114.4 115.32 27.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.081 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.4 mtt85 -75.69 137.04 40.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.731 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.633 HG22 HD22 ' A' ' 100' ' ' LEU . 16.4 mt -140.84 108.85 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.19 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.45 ' CZ ' HD11 ' A' ' 170' ' ' ILE . 48.7 m-85 -102.25 101.19 11.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.633 HD22 HG22 ' A' ' 98' ' ' ILE . 2.1 pt? -138.74 165.91 25.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.968 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -113.55 89.94 3.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.706 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.4 m -80.71 120.67 32.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 82.7 p -87.75 -30.34 20.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.34 -72.37 0.63 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.818 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -178.58 162.03 1.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -115.2 152.62 32.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.039 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.4 HG22 ' N ' ' A' ' 108' ' ' VAL . 4.6 mt -126.66 153.38 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 146' ' ' ASP . 6.8 m -142.54 120.17 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.023 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.52 120.8 36.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.99 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.97 30.93 20.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.974 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 14.4 m -100.61 162.71 12.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.11 123.53 1.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.979 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.12 28.14 50.42 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.565 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 26.1 mm -81.68 127.93 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.748 0.309 . . . . 0.0 111.099 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.2 115.85 24.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.048 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -103.78 124.74 49.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -153.0 154.26 30.8 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.073 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.2 -174.69 0.44 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.553 2.168 . . . . 0.0 112.257 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.442 ' CZ ' ' HB3' ' A' ' 121' ' ' TRP . 11.2 t80 -101.41 124.95 47.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 3.4 t -109.8 -26.17 9.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.081 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.489 ' CD1' HD22 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -55.17 153.56 6.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.051 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.534 ' HA ' HD13 ' A' ' 126' ' ' ILE . 1.2 m -175.86 172.06 2.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -168.8 162.99 8.06 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.821 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -50.43 -31.4 30.43 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.557 2.171 . . . . 0.0 112.362 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -104.43 53.25 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.534 HD13 ' HA ' ' A' ' 122' ' ' SER . 1.0 OUTLIER -104.87 -33.96 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.037 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.11 -31.85 72.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -77.32 -30.81 54.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -72.18 -38.94 68.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.524 ' HE1' HD11 ' A' ' 126' ' ' ILE . 17.1 m-85 -76.73 -41.0 46.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -68.94 -33.58 73.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.2 m -69.94 -37.58 75.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.96 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 53.4 p -84.03 -31.49 25.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.01 30.56 7.4 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.458 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.609 HD12 ' HB2' ' A' ' 66' ' ' PRO . 75.6 mt -107.39 -176.81 3.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.807 0.337 . . . . 0.0 110.872 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.67 160.83 37.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -100.43 -31.96 11.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.52 -55.43 6.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 4.4 mttp -64.51 121.03 13.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -173.09 143.21 1.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -142.5 78.87 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 64.5 p-90 -75.42 -28.62 59.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -57.75 -31.21 66.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -71.87 120.4 17.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.994 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 21.5 t -144.61 146.82 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . 0.502 ' O ' HG22 ' A' ' 108' ' ' VAL . 1.4 t70 -130.78 140.72 50.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.42 119.5 37.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.574 0.226 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.03 63.0 2.52 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.509 2.139 . . . . 0.0 112.326 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -149.05 -70.15 0.21 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 66.4 p-90 -93.74 158.9 15.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 4.1 m -143.32 156.92 44.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 32.2 mt -94.16 146.03 7.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.044 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.646 HD21 ' O ' ' A' ' 167' ' ' GLU . 13.8 tp -75.83 127.17 86.06 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.848 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.34 -167.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.41 2.073 . . . . 0.0 112.325 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -105.03 33.39 3.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -123.16 -43.59 2.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.646 ' O ' HD21 ' A' ' 163' ' ' LEU . 70.2 mt-10 -98.47 29.86 3.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.977 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.79 -31.32 45.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.935 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -80.6 126.88 31.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' ILE . . . . . 0.45 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 20.7 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.039 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.419 ' CE2' ' HE2' ' A' ' 23' ' ' LYS . 4.5 m-85 -146.2 129.12 16.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 0.0 110.927 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.412 ' HA ' HD21 ' A' ' 38' ' ' LEU . 23.4 p -158.68 177.71 10.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 60.35 35.85 20.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.453 HD23 ' NE2' ' A' ' 19' ' ' GLN . 1.0 OUTLIER -135.25 146.77 48.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -150.87 147.36 27.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.7 p 58.71 32.69 22.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.453 ' NE2' HD23 ' A' ' 16' ' ' LEU . 9.1 mt-30 -125.05 174.41 8.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.8 t -128.03 114.4 34.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.7 mt -108.84 141.72 40.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.5 145.94 49.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.956 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.533 ' HB2' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -143.18 158.5 43.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.788 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.44 175.35 9.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.28 -31.07 72.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.032 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.55 -34.01 64.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.813 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -80.32 -36.0 34.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.42 HD13 ' HG3' ' A' ' 49' ' ' PRO . 6.4 mt -77.58 -50.3 12.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 59.58 31.6 21.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 60.0 71.2 0.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -127.12 -176.89 3.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -91.45 100.07 12.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.812 ' HB ' HD12 ' A' ' 52' ' ' LEU . 26.9 t -65.94 110.74 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.047 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.7 tp -109.74 115.84 30.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.969 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.503 ' HB3' HD11 ' A' ' 38' ' ' LEU . 6.3 mt -135.19 133.56 39.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.6 t -162.11 166.74 25.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 62.13 40.04 12.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.503 HD11 ' HB3' ' A' ' 35' ' ' LEU . 18.2 mt -110.15 163.3 13.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.983 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.7 m -158.69 111.28 2.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 60.84 31.35 20.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.8 t -101.23 103.49 14.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.53 144.8 55.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.784 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.632 ' HB ' HD12 ' A' ' 62' ' ' LEU . 21.5 t -131.58 157.36 43.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.453 ' N ' HG12 ' A' ' 43' ' ' VAL . 12.8 mtt180 -155.57 100.09 2.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.54 HD12 ' HB2' ' A' ' 64' ' ' CYS . 11.3 mt -102.72 158.27 16.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -147.62 100.18 3.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 165.41 -138.82 5.45 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -148.22 67.65 9.97 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.773 0.321 . . . . 0.0 110.968 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.42 ' HG3' HD13 ' A' ' 28' ' ' LEU . 50.5 Cg_exo -53.28 146.47 40.03 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.579 2.186 . . . . 0.0 112.25 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -62.61 -56.87 13.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.406 HG23 ' OG1' ' A' ' 69' ' ' THR . 0.1 OUTLIER -136.39 151.16 49.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.812 HD12 ' HB ' ' A' ' 33' ' ' VAL . 7.4 tp -123.98 140.4 53.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -152.39 116.04 4.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.483 HD12 ' HB2' ' A' ' 35' ' ' LEU . 2.0 tp -127.34 128.67 46.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.807 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.0 p -149.17 160.11 43.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.4 mttm 59.62 37.45 22.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -107.49 144.1 34.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.001 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -138.41 121.68 17.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.3 m 59.53 27.24 16.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 59.0 m -95.55 146.69 24.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -118.03 111.12 18.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.632 HD12 ' HB ' ' A' ' 43' ' ' VAL . 5.2 tp -112.05 128.21 56.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.599 HD23 ' HB3' ' A' ' 82' ' ' ALA . 6.6 mt -137.74 111.29 8.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.54 ' HB2' HD12 ' A' ' 45' ' ' LEU . 51.6 t -141.25 156.29 45.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.59 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -58.81 -179.91 1.3 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.516 ' HB3' ' HB3' ' A' ' 84' ' ' ALA . 28.8 Cg_endo -62.97 119.37 6.41 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.613 2.208 . . . . 0.0 112.209 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.647 HG12 ' O ' ' A' ' 84' ' ' ALA . 11.9 p -58.59 158.44 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.07 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.481 ' N ' HG22 ' A' ' 67' ' ' VAL . 3.4 t -69.12 -52.32 29.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.971 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.406 ' OG1' HG23 ' A' ' 51' ' ' THR . 0.6 OUTLIER -105.12 -77.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.994 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.46 179.98 7.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.0 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.726 HG21 HG11 ' A' ' 83' ' ' VAL . 24.4 t -123.2 158.8 27.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.49 ' N ' HG12 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -132.89 118.56 19.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.6 tp -113.78 136.97 52.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -160.87 142.16 11.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 62.9 32.49 15.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 10.0 m -103.0 138.53 39.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.4 t -147.8 130.53 16.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 60.33 34.13 20.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.606 ' HB2' HG23 ' A' ' 96' ' ' THR . 14.5 m -107.7 165.86 11.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -134.13 90.21 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 tp -86.85 151.19 23.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.599 ' HB3' HD23 ' A' ' 63' ' ' LEU . . . -149.19 97.25 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.726 HG11 HG21 ' A' ' 71' ' ' VAL . 12.4 p -162.71 128.6 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.088 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.647 ' O ' HG12 ' A' ' 67' ' ' VAL . . . -76.25 154.46 35.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.068 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.452 ' SG ' HD12 ' A' ' 100' ' ' LEU . 30.7 p -169.93 -179.95 3.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -104.39 -31.54 9.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -137.64 121.17 17.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.952 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.461 HD22 HD11 ' A' ' 100' ' ' LEU . 32.6 tp -115.17 138.18 51.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.13 117.04 19.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.673 HD12 HG12 ' A' ' 108' ' ' VAL . 4.3 mt -114.33 147.26 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.053 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -153.13 131.62 12.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.026 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 63.4 m 59.33 37.09 23.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.996 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.614 ' O ' HD11 ' A' ' 114' ' ' ILE . 51.6 m -110.42 134.02 52.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.797 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -148.08 140.47 24.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.32 30.74 20.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.606 HG23 ' HB2' ' A' ' 79' ' ' CYS . 7.0 m -113.16 130.08 56.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.979 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -93.36 140.32 29.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.697 HG22 HD22 ' A' ' 100' ' ' LEU . 29.5 mt -139.3 126.57 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.157 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.513 ' CZ ' HD22 ' A' ' 163' ' ' LEU . 9.7 m-85 -116.51 109.06 16.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.697 HD22 HG22 ' A' ' 98' ' ' ILE . 2.1 pt? -152.41 176.06 12.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -127.63 90.09 3.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 8.8 m -81.9 121.38 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 70.1 p -90.59 -33.77 15.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.56 -74.86 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -176.61 176.05 1.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -142.22 157.73 44.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 22.3 mt -123.83 148.77 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.673 HG12 HD12 ' A' ' 90' ' ' ILE . 5.2 m -149.79 109.65 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.088 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -122.41 138.26 54.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.804 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 60.18 30.88 20.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.416 ' SG ' HG22 ' A' ' 90' ' ' ILE . 96.9 m -110.76 152.93 26.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 m -157.75 128.8 6.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.1 28.05 50.81 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.557 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.614 HD11 ' O ' ' A' ' 93' ' ' THR . 26.7 mm -82.24 148.1 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.819 0.343 . . . . 0.0 111.085 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -112.82 129.34 56.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -122.74 122.22 38.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.594 ' HB1' ' HD2' ' A' ' 118' ' ' PRO . . . -140.02 162.17 51.82 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.061 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.594 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 51.8 Cg_endo -69.24 168.53 20.61 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.558 2.172 . . . . 0.0 112.343 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -112.96 127.1 56.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.27 31.33 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -84.24 178.43 7.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.748 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.787 ' HB2' HD13 ' A' ' 126' ' ' ILE . 3.8 m 61.23 -177.54 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.841 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.442 ' N ' ' HD2' ' A' ' 124' ' ' PRO . 0.3 OUTLIER -177.52 -62.38 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.01 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.442 ' HD2' ' N ' ' A' ' 123' ' ' TYR . 19.3 Cg_endo -58.84 -23.18 66.01 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.491 2.128 . . . . 0.0 112.292 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -146.95 53.32 1.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.787 HD13 ' HB2' ' A' ' 122' ' ' SER . 9.1 tp -110.02 -34.97 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.061 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.422 ' OD1' HG23 ' A' ' 126' ' ' ILE . 1.2 m-20 -74.23 -38.99 63.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.908 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -73.68 -38.31 64.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.93 -34.99 79.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.23 -32.2 73.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -88.71 -31.6 18.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.17 -47.48 20.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 78.9 p -59.37 -38.18 79.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 112.26 30.59 2.87 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.436 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 24.5 mt -108.49 171.48 7.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.88 137.53 52.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 51.5 mtp85 -87.9 -31.43 19.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.49 -56.88 3.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -60.19 132.14 52.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -148.05 122.21 9.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -150.19 86.02 1.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 33.8 p-90 -110.35 -29.29 8.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.956 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.32 -31.05 67.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.07 104.95 13.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.64 127.55 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -77.25 100.67 5.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -95.22 136.29 35.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 20.0 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.754 0.311 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.44 62.79 2.83 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.545 2.164 . . . . 0.0 112.322 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -107.79 -32.57 7.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 24.6 p-90 -117.78 112.27 20.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.58 170.88 15.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 33.3 mt -124.54 131.6 72.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.513 HD22 ' CZ ' ' A' ' 99' ' ' PHE . 5.5 tp -61.65 131.85 92.93 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.755 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -67.82 167.9 20.08 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.529 2.153 . . . . 0.0 112.279 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -93.14 47.58 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -141.11 -46.19 0.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -97.02 33.05 1.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -67.59 -47.81 68.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.815 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -69.33 120.41 15.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.78 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 19.3 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.143 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 N-CA-C 112.526 -0.229 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.534 ' HB3' HD11 ' A' ' 16' ' ' LEU . 26.1 m-85 -130.83 150.44 52.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 0.0 110.894 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 90.3 p -164.14 176.81 8.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 60.36 32.65 20.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.534 HD11 ' HB3' ' A' ' 13' ' ' PHE . 11.4 mt -114.98 142.15 47.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.81 130.74 20.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m 61.84 31.73 18.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -115.39 161.4 18.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.0 t -125.67 121.89 61.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.048 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 mt -113.05 170.34 8.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -153.49 139.1 17.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.8 mttt -138.27 157.52 46.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.2 mtm-85 -127.5 179.84 5.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.82 -42.33 77.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.106 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.6 t -67.74 -30.76 70.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.09 -45.47 70.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.945 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.5 mt -77.87 -79.96 0.11 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 61.67 69.99 0.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.936 0.398 . . . . 0.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 57.69 74.06 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -134.98 165.6 24.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -103.92 101.8 11.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.823 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.549 HG12 HD11 ' A' ' 35' ' ' LEU . 25.9 t -86.76 114.64 26.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.3 tp -119.19 111.31 18.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.606 ' HB3' HD11 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -116.79 136.01 53.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.8 t -161.8 167.44 24.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.986 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 60.05 39.55 19.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.606 HD11 ' HB3' ' A' ' 35' ' ' LEU . 1.5 mt -111.49 154.54 24.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.1 115.1 6.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 60.96 30.67 19.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.935 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.6 t -100.73 131.18 46.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.6 m -91.53 134.15 34.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.512 ' HB ' HD12 ' A' ' 62' ' ' LEU . 21.5 t -134.08 130.05 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.149 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -136.3 134.82 38.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.966 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.675 HD12 ' HB3' ' A' ' 64' ' ' CYS . 8.9 mt -130.33 156.67 44.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -144.29 104.61 4.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 157.41 -137.2 5.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.486 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -150.18 83.36 6.1 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.726 0.298 . . . . 0.0 110.909 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.29 173.37 11.54 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.626 2.217 . . . . 0.0 112.281 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -76.92 -63.3 1.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.841 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.3 m -138.37 148.23 44.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.565 ' HB3' HG13 ' A' ' 71' ' ' VAL . 16.3 tp -119.04 143.65 46.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -154.17 139.01 17.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.563 HD12 ' HB2' ' A' ' 35' ' ' LEU . 5.3 tp -147.69 131.46 16.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.789 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.0 p -148.53 158.84 44.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.04 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.1 mttt 59.64 31.26 20.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -101.78 124.91 48.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.056 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -126.55 125.71 42.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.012 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.7 m 58.49 30.92 20.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.971 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 35.1 m -108.54 150.68 27.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -111.66 140.95 45.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.546 HD21 HD21 ' A' ' 52' ' ' LEU . 10.9 tp -135.0 128.42 32.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.953 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.537 HD23 ' HB3' ' A' ' 82' ' ' ALA . 6.1 mt -139.68 123.85 17.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.675 ' HB3' HD12 ' A' ' 45' ' ' LEU . 29.1 p -157.54 162.54 38.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -70.08 -179.93 26.63 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.476 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.425 ' HG3' ' CD1' ' A' ' 130' ' ' PHE . 26.0 Cg_endo -61.91 127.71 22.18 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.59 2.193 . . . . 0.0 112.216 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.48 HG22 ' N ' ' A' ' 68' ' ' SER . 12.1 p -69.7 158.6 5.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.167 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.48 ' N ' HG22 ' A' ' 67' ' ' VAL . 1.4 m -68.5 -53.77 21.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.969 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.8 p -102.16 -76.2 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -163.25 179.99 7.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.015 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.729 HG21 HG11 ' A' ' 83' ' ' VAL . 21.5 t -119.86 159.06 21.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.487 ' N ' HG12 ' A' ' 71' ' ' VAL . 28.0 m-85 -131.73 128.9 39.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.606 HD13 HD13 ' A' ' 81' ' ' LEU . 2.7 tp -126.4 134.4 51.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.754 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -157.41 139.03 13.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.948 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.83 39.99 10.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.029 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.3 m -105.97 135.0 48.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.84 128.96 16.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 60.69 36.35 19.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.516 ' H ' HG23 ' A' ' 96' ' ' THR . 0.5 OUTLIER -109.34 174.32 5.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.811 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.36 89.96 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.606 HD13 HD13 ' A' ' 73' ' ' LEU . 0.9 OUTLIER -84.49 138.68 32.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.537 ' HB3' HD23 ' A' ' 63' ' ' LEU . . . -139.34 99.78 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.729 HG11 HG21 ' A' ' 71' ' ' VAL . 10.8 p -163.62 153.31 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.081 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -105.65 130.3 53.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 9.4 p -144.27 179.98 6.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.958 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -100.78 -31.27 11.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.964 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -143.59 99.92 3.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.677 HD22 ' CD1' ' A' ' 100' ' ' LEU . 47.8 tp -78.68 158.3 28.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -146.2 105.32 3.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.956 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.71 ' HB ' HG12 ' A' ' 108' ' ' VAL . 18.2 mt -109.82 158.61 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.463 ' N ' HG22 ' A' ' 90' ' ' ILE . 50.2 t-80 -167.54 142.91 3.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.119 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.4 m 51.07 28.69 4.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.214 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.432 ' O ' HD11 ' A' ' 114' ' ' ILE . 28.8 m -100.12 139.35 35.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.7 pttp -151.06 130.76 13.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.975 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.31 39.96 21.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.032 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.516 HG23 ' H ' ' A' ' 79' ' ' CYS . 34.6 m -121.0 112.39 18.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -64.73 139.48 58.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.798 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.597 HG22 HD22 ' A' ' 100' ' ' LEU . 27.8 mt -140.83 123.68 15.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.196 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -120.38 100.32 7.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.791 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.677 ' CD1' HD22 ' A' ' 88' ' ' LEU . 1.9 pt? -137.7 171.62 14.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.054 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -128.7 89.9 2.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.819 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.8 m -81.53 134.2 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 10.6 p -100.8 -30.78 11.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.62 -65.51 0.97 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -177.62 177.64 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -129.47 164.23 24.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.055 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 32.8 mt -142.14 138.97 30.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.71 HG12 ' HB ' ' A' ' 90' ' ' ILE . 30.3 m -148.69 129.18 4.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.046 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.429 ' HB3' ' CD2' ' A' ' 91' ' ' HIS . 0.2 OUTLIER -126.21 129.44 48.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.04 30.93 18.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 13.7 m -107.5 141.19 39.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.51 136.88 23.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.07 27.74 63.7 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.571 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.435 ' CG2' HD12 ' A' ' 98' ' ' ILE . 29.7 mm -82.48 114.7 23.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.841 0.353 . . . . 0.0 111.054 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.403 HE21 HD13 ' A' ' 163' ' ' LEU . 0.2 OUTLIER -80.93 104.37 11.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.967 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.439 ' HZ ' HG11 ' A' ' 108' ' ' VAL . 81.9 m-85 -90.53 136.66 32.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.505 ' HB1' ' HD2' ' A' ' 118' ' ' PRO . . . -155.15 159.8 31.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.99 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.505 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 55.7 Cg_endo -70.01 159.3 53.72 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.532 2.154 . . . . 0.0 112.301 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -79.97 95.38 6.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.75 105.02 15.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -161.95 120.54 2.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.55 131.25 56.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -145.43 160.13 46.11 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.35 -32.67 52.66 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.596 2.198 . . . . 0.0 112.319 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -131.64 64.3 1.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -110.11 -33.58 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.003 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.43 -34.11 63.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.847 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -30.9 69.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.34 -45.78 79.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.425 ' CD1' ' HG3' ' A' ' 66' ' ' PRO . 11.2 m-85 -58.92 -37.28 76.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.046 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.06 -33.72 50.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.18 -55.51 32.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 40.3 p -61.57 -37.52 84.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 107.91 30.28 4.03 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.467 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 34.5 mt -96.19 159.61 14.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.784 0.326 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.71 152.3 25.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.822 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -112.05 30.31 7.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.78 -34.69 6.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -85.92 128.69 34.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.85 111.83 3.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -139.1 43.16 2.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 64.1 p-90 -66.24 -30.75 71.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -59.31 -36.09 74.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.921 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.21 110.97 21.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 21.6 t -122.53 146.1 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -83.47 153.24 24.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -135.1 130.12 35.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.806 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.609 0.242 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -62.51 76.15 0.1 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.68 2.253 . . . . 0.0 112.24 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -140.52 -61.07 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 66.3 p-90 -91.01 141.95 28.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.802 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -127.96 164.67 21.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.956 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 18.2 mt -101.1 141.68 17.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.547 HD21 ' O ' ' A' ' 167' ' ' GLU . 13.8 tp -75.99 137.36 69.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 163' ' ' LEU . 51.6 Cg_exo -55.15 -168.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.437 2.091 . . . . 0.0 112.273 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -105.34 29.8 6.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -117.28 -42.18 2.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.547 ' O ' HD21 ' A' ' 163' ' ' LEU . 1.1 mp0 -98.73 31.41 2.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -67.21 -55.83 12.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -102.92 158.68 16.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 31.2 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.546 -0.222 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.508 ' CD2' HD13 ' A' ' 21' ' ' LEU . 11.4 m-85 -147.66 129.58 15.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.9 p -153.49 171.52 18.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.4 m120 60.62 32.44 20.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.937 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.3 mt -113.24 169.34 9.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -169.92 129.31 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.96 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.07 34.33 19.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -121.53 147.83 45.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.697 HG22 ' OG1' ' A' ' 42' ' ' THR . 24.8 t -107.86 109.79 29.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.063 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.515 HD12 HG22 ' A' ' 43' ' ' VAL . 12.8 mt -93.54 139.4 30.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -149.38 127.06 11.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.533 ' HD2' HD21 ' A' ' 28' ' ' LEU . 66.7 mttm -119.55 -179.95 4.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.66 167.16 16.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.946 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.96 -56.77 17.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.062 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.87 -31.13 69.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.952 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -70.51 -42.47 71.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.953 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.533 HD21 ' HD2' ' A' ' 23' ' ' LYS . 27.5 mt -79.85 -56.01 4.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.982 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 63.26 34.24 13.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.99 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 59.25 94.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.5 mtt85 -147.19 168.41 21.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -67.16 126.16 28.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.854 ' HB ' HD12 ' A' ' 52' ' ' LEU . 21.8 t -103.32 109.4 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.0 tp -108.11 104.6 14.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.5 ' HB3' HD11 ' A' ' 38' ' ' LEU . 6.3 mt -117.13 122.25 43.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.3 t -153.52 164.65 37.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 62.82 35.55 13.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.5 HD11 ' HB3' ' A' ' 35' ' ' LEU . 60.8 mt -97.21 152.97 18.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 72.6 m -161.69 112.88 1.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 60.28 32.01 20.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.792 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.53 148.2 29.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.697 ' OG1' HG22 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -106.67 131.59 53.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.58 ' HB ' HD12 ' A' ' 62' ' ' LEU . 21.2 t -123.22 147.75 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.23 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.6 mtm-85 -157.2 99.94 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.6 mt -93.27 134.96 34.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -121.28 107.22 12.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 158.98 -121.76 1.08 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.553 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -160.5 69.19 2.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.746 0.308 . . . . 0.0 110.855 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.54 149.51 30.8 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.555 2.17 . . . . 0.0 112.273 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -69.49 -69.28 0.35 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.15 100.03 4.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.854 HD12 ' HB ' ' A' ' 33' ' ' VAL . 38.9 tp -69.09 136.52 52.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.66 100.67 4.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.592 HD13 HD13 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -110.65 127.43 55.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 36.6 p -151.08 163.33 39.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.949 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt 59.05 33.12 22.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.18 144.77 27.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.065 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -147.6 118.66 7.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.8 m 61.03 30.15 19.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 15.0 m -111.4 151.46 28.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -115.62 146.42 41.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.592 HD13 HD13 ' A' ' 54' ' ' LEU . 0.8 OUTLIER -138.9 132.06 29.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.875 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.41 HD23 ' HB3' ' A' ' 82' ' ' ALA . 6.4 mt -141.74 103.9 4.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.8 p -134.2 165.27 25.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.78 -179.98 21.29 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.481 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -64.74 119.7 6.8 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.66 2.24 . . . . 0.0 112.276 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.435 HG22 ' N ' ' A' ' 68' ' ' SER . 12.3 p -60.8 156.35 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.435 ' N ' HG22 ' A' ' 67' ' ' VAL . 0.3 OUTLIER -71.15 -49.6 42.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.952 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.08 -77.78 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.016 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.3 m -164.04 -179.97 6.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.996 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.774 HG21 HG11 ' A' ' 83' ' ' VAL . 24.3 t -123.67 158.66 29.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.487 ' N ' HG12 ' A' ' 71' ' ' VAL . 17.4 t80 -131.85 125.77 32.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.45 ' CD1' HD13 ' A' ' 81' ' ' LEU . 5.0 tp -121.23 136.0 55.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.818 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -161.77 143.38 11.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 61.74 39.93 13.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 76.8 m -116.56 148.6 40.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.6 t -160.43 140.36 11.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 59.98 30.61 20.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.943 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.418 ' HB2' HG23 ' A' ' 96' ' ' THR . 22.5 m -112.65 168.64 9.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.836 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 22.5 t -132.25 91.57 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.06 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.45 HD13 ' CD1' ' A' ' 73' ' ' LEU . 1.3 tp -88.33 142.15 27.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.41 ' HB3' HD23 ' A' ' 63' ' ' LEU . . . -146.67 99.75 3.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.774 HG11 HG21 ' A' ' 71' ' ' VAL . 9.9 p -158.22 122.47 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.044 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.55 124.63 25.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.993 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.2 p -141.78 179.98 6.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.981 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.478 ' OE1' HD21 ' A' ' 135' ' ' LEU . 0.1 OUTLIER -92.69 -49.72 5.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.79 112.38 14.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.572 HD22 HD11 ' A' ' 100' ' ' LEU . 21.9 tp -90.48 124.22 34.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -117.28 115.45 25.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.468 HG22 ' N ' ' A' ' 91' ' ' HIS . 28.3 mt -119.64 158.39 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.468 ' N ' HG22 ' A' ' 90' ' ' ILE . 16.1 t-160 -165.72 136.96 3.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.036 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 57.65 31.01 19.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 84.6 m -103.94 150.64 24.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.1 ptmm? -164.45 139.63 5.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.3 t0 59.78 38.48 21.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.418 HG23 ' HB2' ' A' ' 79' ' ' CYS . 3.2 m -118.61 101.36 8.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -71.82 102.37 2.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.86 HG22 HD22 ' A' ' 100' ' ' LEU . 4.2 mt -96.65 137.86 23.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.009 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.595 ' CZ ' HD11 ' A' ' 170' ' ' ILE . 26.1 m-85 -126.7 91.76 3.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.935 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.86 HD22 HG22 ' A' ' 98' ' ' ILE . 2.4 pt? -140.22 -179.96 6.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.931 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -136.08 98.16 3.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.2 m -81.17 133.02 30.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 68.5 p -97.7 -30.91 12.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 65.1 m -92.88 -77.01 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.028 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 43.7 mtt180 -161.22 179.98 7.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.031 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -134.38 138.81 45.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.029 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 22.9 mt -121.32 139.43 48.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.194 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.3 m -144.82 138.67 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.053 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -137.18 133.4 35.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.7 t70 53.55 28.93 8.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 87.5 m -90.95 146.14 24.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.91 126.66 6.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.13 32.06 36.74 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.534 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 24.3 mm -90.12 148.01 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.752 ' HG2' HD13 ' A' ' 163' ' ' LEU . 0.3 OUTLIER -115.47 111.98 21.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -93.5 129.0 39.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -151.98 145.09 17.33 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.062 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -56.12 171.38 0.84 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.471 2.114 . . . . 0.0 112.24 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.447 ' CE2' ' HB2' ' A' ' 121' ' ' TRP . 68.5 t80 -89.57 142.98 27.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.759 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.7 p -137.55 104.27 5.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.447 ' HB2' ' CE2' ' A' ' 119' ' ' TYR . 0.0 OUTLIER -178.56 123.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 179.865 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.615 ' HA ' HD13 ' A' ' 126' ' ' ILE . 0.9 OUTLIER -144.63 154.05 42.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.995 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -172.47 163.69 3.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -51.55 -27.65 26.02 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.646 2.23 . . . . 0.0 112.499 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.1 30.79 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.615 HD13 ' HA ' ' A' ' 122' ' ' SER . 1.0 OUTLIER -80.97 -43.86 20.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.137 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.474 ' N ' HG23 ' A' ' 126' ' ' ILE . 0.2 OUTLIER -59.58 -34.22 72.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.953 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -67.99 -30.63 69.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.961 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -77.06 -58.43 3.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.443 ' CZ ' ' HG2' ' A' ' 137' ' ' ARG . 27.8 m-85 -58.98 -34.98 72.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -65.3 -38.18 89.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.4 m -68.41 -52.58 31.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 14.8 p -68.19 -39.14 82.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.06 28.06 32.18 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.478 HD21 ' OE1' ' A' ' 86' ' ' GLN . 5.7 mt -92.45 168.68 11.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.774 0.321 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.3 144.46 45.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . 0.443 ' HG2' ' CZ ' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -107.41 32.07 4.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.61 -44.67 1.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.814 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 47.8 mttm -77.13 91.8 3.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -82.07 162.42 22.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.815 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -175.79 38.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.846 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 41.7 p-90 -93.76 -13.32 27.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.39 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -75.41 -31.73 60.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.909 0.385 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -91.38 105.55 17.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.42 ' HB ' ' CZ2' ' A' ' 160' ' ' TRP . 21.6 t -121.4 139.84 47.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.29 179.29 4.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -157.07 114.36 3.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.961 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.689 0.281 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.52 63.46 1.65 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.507 2.138 . . . . 0.0 112.366 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -120.31 -48.82 2.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.817 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.42 ' CZ2' ' HB ' ' A' ' 145' ' ' VAL . 65.5 p-90 -117.8 148.51 42.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.71 168.29 16.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 35.8 mt -111.26 135.03 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.051 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.752 HD13 ' HG2' ' A' ' 115' ' ' GLN . 13.5 tp -63.17 136.2 96.58 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -73.61 -168.71 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.529 2.152 . . . . 0.0 112.314 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -97.47 39.63 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -125.57 -44.71 1.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.689 ' O ' HD21 ' A' ' 163' ' ' LEU . 3.0 mm-40 -104.89 31.82 4.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.984 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -77.3 -66.14 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -79.72 84.29 5.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' ILE . . . . . 0.595 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 1.8 mp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.673 ' CD2' HD13 ' A' ' 21' ' ' LEU . 6.8 m-85 -134.52 121.74 21.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.772 0.32 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.3 m -139.3 170.43 15.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.1 m120 62.6 39.07 11.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mt -129.59 134.51 47.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -135.96 131.25 34.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.65 32.97 20.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -116.04 171.87 7.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.435 ' O ' HD23 ' A' ' 21' ' ' LEU . 21.4 t -125.17 142.99 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.673 HD13 ' CD2' ' A' ' 13' ' ' PHE . 10.5 mt -133.22 137.33 46.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.943 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -139.15 113.2 8.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt -115.74 127.45 55.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.74 176.23 6.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.11 -31.42 72.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.7 m -76.79 -33.76 58.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -73.44 -33.33 64.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 mt -92.62 -49.76 5.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 59.19 40.58 21.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.95 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 60.21 81.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.98 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -138.09 -179.0 5.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -78.29 141.2 38.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.776 ' HB ' HD12 ' A' ' 52' ' ' LEU . 21.5 t -117.61 109.33 27.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.158 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.1 tp -118.38 136.83 53.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.522 ' HB2' HD12 ' A' ' 54' ' ' LEU . 4.9 mt -140.13 140.21 35.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 t -163.41 157.29 19.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 61.01 39.9 15.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.434 HD12 ' HB3' ' A' ' 35' ' ' LEU . 82.9 mt -112.13 133.97 53.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.99 116.42 13.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.796 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 60.52 33.57 20.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.1 t -106.2 113.97 27.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.11 122.79 25.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -118.68 118.66 58.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 37.1 mtt180 -123.32 101.91 7.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.712 HD12 ' HB2' ' A' ' 64' ' ' CYS . 3.2 mt -95.26 156.39 16.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.445 ' CE1' ' CH2' ' A' ' 121' ' ' TRP . 61.6 m-85 -146.44 104.78 3.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 163.4 -130.55 2.25 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.505 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -155.49 82.26 3.84 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 120.651 0.263 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.89 144.27 52.8 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.576 2.184 . . . . 0.0 112.335 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.52 -58.77 7.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.824 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.03 99.97 3.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.776 HD12 ' HB ' ' A' ' 33' ' ' VAL . 13.2 tp -70.03 146.38 51.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.797 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -152.72 135.64 15.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.972 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.8 HD22 HD22 ' A' ' 62' ' ' LEU . 47.6 tp -143.26 126.44 16.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.741 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.1 p -149.75 161.92 41.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt 59.62 31.41 20.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.57 143.71 29.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.058 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -146.58 122.46 10.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 m 60.18 31.17 20.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 55.7 m -108.71 163.32 13.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -124.67 117.4 24.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.8 HD22 HD22 ' A' ' 54' ' ' LEU . 16.3 tp -106.09 123.79 48.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.95 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.6 mt -136.37 111.83 9.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.712 ' HB2' HD12 ' A' ' 45' ' ' LEU . 52.1 t -143.86 156.12 44.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.09 -179.88 17.69 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.406 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.574 ' HB2' HD12 ' A' ' 135' ' ' LEU . 16.1 Cg_endo -57.26 114.39 1.92 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.674 2.249 . . . . 0.0 112.175 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.489 HG22 ' N ' ' A' ' 68' ' ' SER . 12.2 p -57.53 158.53 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.206 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.489 ' N ' HG22 ' A' ' 67' ' ' VAL . 10.1 t -63.17 -53.65 49.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.2 -78.01 0.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.077 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.0 m -149.02 -179.99 7.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.08 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.564 HG22 ' HB3' ' A' ' 52' ' ' LEU . 21.9 t -127.46 159.04 38.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.488 ' N ' HG12 ' A' ' 71' ' ' VAL . 2.0 t80 -127.36 139.05 53.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.79 HD13 HD13 ' A' ' 81' ' ' LEU . 4.3 tp -132.16 132.74 43.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -156.54 135.97 12.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.064 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 62.89 40.13 9.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.051 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.2 m -107.6 133.72 51.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.818 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -149.52 139.05 21.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 59.2 30.29 20.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 84.6 m -115.07 159.53 20.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.17 91.86 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.838 HD21 HG22 ' A' ' 83' ' ' VAL . 8.5 tt -86.85 149.91 24.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.962 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -154.64 97.91 2.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.838 HG22 HD21 ' A' ' 81' ' ' LEU . 5.3 m -155.01 120.6 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.161 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.417 ' O ' HG12 ' A' ' 67' ' ' VAL . . . -68.94 144.34 54.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.055 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.416 ' HB3' HG12 ' A' ' 67' ' ' VAL . 27.6 p -168.66 160.14 10.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.957 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -72.33 -37.57 68.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -136.22 153.31 51.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.672 HD22 HD11 ' A' ' 100' ' ' LEU . 16.7 tp -132.18 154.86 49.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -144.69 114.74 7.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.487 HG22 ' N ' ' A' ' 91' ' ' HIS . 19.3 mt -118.33 158.6 19.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.074 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.487 ' N ' HG22 ' A' ' 90' ' ' ILE . 21.7 t-80 -166.24 145.09 5.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.988 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 51.09 28.23 3.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.491 ' O ' HD11 ' A' ' 114' ' ' ILE . 47.6 m -102.59 135.02 44.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -144.71 131.67 20.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 60.1 39.99 18.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.011 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.0 m -119.5 113.87 21.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 -72.17 145.32 48.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.062 HG22 HD22 ' A' ' 100' ' ' LEU . 20.7 mt -138.98 109.26 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.198 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.596 ' CZ ' HD11 ' A' ' 170' ' ' ILE . 63.7 m-85 -103.69 93.56 4.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 1.062 HD22 HG22 ' A' ' 98' ' ' ILE . 1.8 pt? -143.13 171.96 13.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -124.01 105.19 9.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 15.1 m -91.57 138.46 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 46.1 p -109.52 -31.38 7.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.73 -74.3 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.7 ptp85 -176.33 153.79 1.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.643 ' HB3' HG13 ' A' ' 145' ' ' VAL . . . -105.53 147.54 28.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.081 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 23.6 mm -119.14 130.51 73.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 29.1 m -132.84 130.6 58.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.081 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -140.23 126.17 19.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 61.26 31.58 19.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 56.3 m -108.69 155.85 20.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 41.4 m -159.37 138.07 10.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.951 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 69.74 30.71 70.44 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.474 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.491 HD11 ' O ' ' A' ' 93' ' ' THR . 29.7 mm -83.41 158.19 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.786 0.327 . . . . 0.0 111.186 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.472 ' N ' HG22 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -122.18 123.17 40.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -115.25 118.82 34.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -148.69 152.74 38.32 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.31 169.15 0.33 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.611 2.208 . . . . 0.0 112.297 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.441 ' CE2' ' HB2' ' A' ' 121' ' ' TRP . 74.4 t80 -82.71 143.56 30.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 4.9 p -138.4 110.25 7.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.445 ' CH2' ' CE1' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -177.69 91.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.82 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 68.4 m -85.48 115.07 22.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.06 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.455 ' CG ' ' HD2' ' A' ' 124' ' ' PRO . 0.1 OUTLIER -134.09 152.82 79.08 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.737 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.455 ' HD2' ' CG ' ' A' ' 123' ' ' TYR . 29.7 Cg_endo -63.31 -25.76 71.64 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.511 2.14 . . . . 0.0 112.317 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -107.57 40.07 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.828 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -89.3 -34.19 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.209 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -59.57 -55.71 31.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.23 -31.38 70.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.59 -48.69 80.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.809 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -68.11 -36.46 79.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -68.19 -41.57 81.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.8 m -74.89 -34.9 62.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.955 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 44.2 p -65.11 -32.69 74.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.56 31.13 41.97 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.548 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.574 HD12 ' HB2' ' A' ' 66' ' ' PRO . 19.7 mt -102.51 -178.2 3.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.352 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.34 122.84 41.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.812 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -82.44 -33.61 28.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.14 -31.65 70.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.964 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -76.72 115.57 16.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -135.12 94.5 3.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -141.14 82.27 1.82 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 52.1 p-90 -103.24 34.19 3.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -117.09 -44.74 2.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -74.02 109.87 7.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.643 HG13 ' HB3' ' A' ' 106' ' ' ALA . 21.5 t -121.03 157.67 24.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . 0.457 ' N ' HG12 ' A' ' 145' ' ' VAL . 0.5 OUTLIER -105.47 110.99 23.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.11 120.53 34.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.535 0.207 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -77.18 59.12 6.46 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.485 2.124 . . . . 0.0 112.388 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -128.8 -54.23 1.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 62.0 p-90 -94.93 162.59 13.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.51 171.9 16.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 33.1 mt -112.88 139.33 38.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.083 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.626 HD23 ' HG2' ' A' ' 168' ' ' ARG . 9.4 tp -71.78 136.07 83.04 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.758 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.69 -174.41 0.71 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.442 2.094 . . . . 0.0 112.282 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -98.49 28.08 4.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.962 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -120.76 -38.25 2.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.042 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.587 ' O ' HD21 ' A' ' 163' ' ' LEU . 5.6 mm-40 -97.11 36.12 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . 0.626 ' HG2' HD23 ' A' ' 163' ' ' LEU . 18.9 mtp180 -105.4 30.95 5.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.867 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -136.71 75.21 1.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' ILE . . . . . 0.596 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 3.3 mp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.093 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -135.38 130.81 35.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.851 0.357 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.0 p -165.05 176.76 8.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 60.62 36.9 19.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.411 ' HB2' HD23 ' A' ' 38' ' ' LEU . 18.2 mt -117.24 160.06 21.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -148.31 121.73 9.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 m 60.86 37.14 18.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.408 ' NE2' HD22 ' A' ' 16' ' ' LEU . 5.1 mt-30 -112.93 155.09 25.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.6 t -122.53 119.32 57.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.098 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.804 HD12 HG22 ' A' ' 43' ' ' VAL . 13.7 mt -102.49 165.3 11.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -162.54 116.52 1.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.467 ' HD2' HD22 ' A' ' 45' ' ' LEU . 41.9 mttt -116.8 158.93 23.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.812 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.17 171.82 7.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.806 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.59 -30.98 72.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.119 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.93 -33.42 74.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.65 -53.41 9.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.56 -74.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 60.87 55.77 3.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.72 85.84 0.11 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.36 170.65 20.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -85.54 150.73 24.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.76 132.73 65.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.063 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.4 tp -124.93 125.04 43.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mt -137.28 123.49 20.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 t -155.47 168.59 26.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.0 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 61.03 39.93 15.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.411 HD23 ' HB2' ' A' ' 16' ' ' LEU . 1.1 mt -118.75 139.45 51.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.6 m -133.38 120.24 20.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 60.54 31.74 20.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.773 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.0 t -99.47 168.05 10.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.684 HG23 ' HB2' ' A' ' 61' ' ' LYS . 0.7 OUTLIER -136.82 137.25 39.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.804 HG22 HD12 ' A' ' 21' ' ' LEU . 21.3 t -136.73 141.33 41.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.165 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -140.4 117.71 11.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.467 HD22 ' HD2' ' A' ' 23' ' ' LYS . 13.2 mt -107.77 126.04 52.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -107.3 113.73 27.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 147.16 -121.61 1.43 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -165.21 87.75 1.0 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.702 0.287 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 170.01 17.47 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.591 2.194 . . . . 0.0 112.342 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -84.27 -54.72 4.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.3 m -146.01 122.47 11.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.658 HD21 ' CD2' ' A' ' 62' ' ' LEU . 58.4 tp -89.1 133.39 34.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.64 116.5 17.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.6 tp -132.61 125.9 31.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.5 p -149.32 157.58 43.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.922 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mttt 60.22 36.88 20.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.06 140.05 30.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.048 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.1 m80 -133.59 106.73 7.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.1 m 60.19 29.96 19.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 86.4 m -95.42 152.79 18.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.684 ' HB2' HG23 ' A' ' 42' ' ' THR . 70.0 mttt -120.49 138.21 53.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.85 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.701 HD12 ' HB ' ' A' ' 43' ' ' VAL . 0.7 OUTLIER -134.93 128.16 31.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.423 HD22 ' CD1' ' A' ' 121' ' ' TRP . 1.6 mt -135.95 99.91 4.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.755 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 21.5 p -130.22 170.41 14.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.98 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.441 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -72.34 -179.95 35.21 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.436 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.426 ' HG3' ' CD1' ' A' ' 130' ' ' PHE . 36.8 Cg_endo -65.7 116.84 4.16 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.507 2.138 . . . . 0.0 112.295 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.481 HG22 ' N ' ' A' ' 68' ' ' SER . 11.0 p -59.97 158.58 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.481 ' N ' HG22 ' A' ' 67' ' ' VAL . 1.2 t -64.58 -54.27 34.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -104.62 -79.21 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.059 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.5 m -158.73 -179.91 8.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.008 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.958 HG21 HG11 ' A' ' 83' ' ' VAL . 22.0 t -116.09 159.22 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.491 ' N ' HG12 ' A' ' 71' ' ' VAL . 16.6 m-85 -130.23 112.02 12.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.48 HD13 HD22 ' A' ' 81' ' ' LEU . 1.3 tp -113.41 142.47 45.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.787 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -167.15 144.7 4.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.952 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 61.51 40.05 14.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 54.3 m -108.92 146.32 33.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.5 t -146.98 124.65 11.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.96 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.7 31.12 20.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.0 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.569 ' HB2' HG23 ' A' ' 96' ' ' THR . 76.5 m -101.75 160.81 14.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.51 89.99 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.552 ' HB3' HG23 ' A' ' 98' ' ' ILE . 17.1 tp -81.17 125.94 30.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.935 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 62' ' ' LEU . . . -123.71 104.78 9.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.958 HG11 HG21 ' A' ' 71' ' ' VAL . 10.9 p -169.36 120.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.06 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.46 122.62 24.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.7 p -143.84 178.0 8.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.995 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.49 ' HG3' HD22 ' A' ' 135' ' ' LEU . 32.0 mt-30 -92.49 -30.56 15.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -144.55 155.29 43.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.55 HD22 HD13 ' A' ' 100' ' ' LEU . 57.3 tp -148.09 119.9 8.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -103.82 107.03 17.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.036 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.9 mt -102.26 147.23 9.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -153.86 137.61 16.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.058 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.6 m 57.51 30.64 19.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.482 ' O ' HD11 ' A' ' 114' ' ' ILE . 32.4 m -105.92 135.39 47.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.6 ptpt -147.4 138.17 23.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 57.33 36.67 27.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.569 HG23 ' HB2' ' A' ' 79' ' ' CYS . 87.7 m -120.25 116.59 25.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -75.01 145.23 42.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.744 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.063 HG22 HD22 ' A' ' 100' ' ' LEU . 20.4 mt -142.25 104.1 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.15 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.615 ' CZ ' HD13 ' A' ' 163' ' ' LEU . 39.5 m-85 -97.68 100.26 11.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.823 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 1.063 HD22 HG22 ' A' ' 98' ' ' ILE . 2.5 pt? -145.78 169.5 18.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -115.68 89.91 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.838 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 102' ' ' VAL . 26.8 m -82.41 115.37 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.164 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 34.0 p -78.24 -30.27 48.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -100.65 -76.62 0.55 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.2 ptt85 -174.78 177.97 1.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -134.08 147.27 50.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 29.1 mt -107.03 147.61 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.569 HG22 ' O ' ' A' ' 146' ' ' ASP . 15.5 m -145.46 119.74 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.163 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -126.65 130.8 51.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 59.56 29.72 19.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 14.3 m -106.24 163.94 12.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.5 m -167.71 130.79 1.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.01 28.13 50.9 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.525 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.482 HD11 ' O ' ' A' ' 93' ' ' THR . 26.7 mm -83.3 139.46 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.803 0.335 . . . . 0.0 111.082 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.94 116.81 31.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -102.61 125.17 49.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -144.66 149.18 42.58 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.418 ' HD3' ' CE3' ' A' ' 142' ' ' TRP . 45.4 Cg_exo -55.95 -168.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.597 2.198 . . . . 0.0 112.247 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -111.42 120.18 41.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.833 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 3.3 t -101.85 -29.21 11.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.423 ' CD1' HD22 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -57.42 99.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.009 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.662 ' HA ' HD13 ' A' ' 126' ' ' ILE . 1.1 m -139.75 174.25 10.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -154.7 164.69 20.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -50.91 -27.44 20.84 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.545 2.163 . . . . 0.0 112.317 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -124.66 62.82 1.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.662 HD13 ' HA ' ' A' ' 122' ' ' SER . 0.5 OUTLIER -109.62 -27.98 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.74 -31.33 71.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -62.75 -43.01 99.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.86 -48.33 82.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.426 ' CD1' ' HG3' ' A' ' 66' ' ' PRO . 12.6 m-85 -58.81 -32.08 69.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.48 -37.42 74.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.8 m -63.12 -31.62 72.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.01 -44.78 10.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.63 31.05 5.91 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.439 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.49 HD22 ' HG3' ' A' ' 86' ' ' GLN . 65.5 mt -89.15 152.39 21.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.804 0.335 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.11 128.09 33.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -97.11 -37.97 9.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 24.5 t -62.56 -34.45 76.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -73.59 161.6 30.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -176.16 85.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.837 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -104.25 52.18 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' TRP . . . . . 0.418 ' CE3' ' HD3' ' A' ' 118' ' ' PRO . 39.9 p-90 -77.83 -27.79 50.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.072 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . 0.403 ' ND2' ' CE2' ' A' ' 142' ' ' TRP . 5.0 m-80 -60.43 -48.26 82.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.896 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -75.02 146.37 41.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.992 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.413 ' HB ' ' CE2' ' A' ' 160' ' ' TRP . 21.6 t -152.44 139.04 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . 0.569 ' O ' HG22 ' A' ' 108' ' ' VAL . 0.3 OUTLIER -86.08 170.35 12.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.817 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -169.92 132.04 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.945 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 CA--C 1.529 0.14 0 CA-C-O 120.579 0.228 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -68.97 63.63 1.34 Allowed 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.515 2.143 . . . . 0.0 112.24 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -131.52 -53.46 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.413 ' CE2' ' HB ' ' A' ' 145' ' ' VAL . 68.3 p-90 -105.58 124.81 50.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 1.9 m -106.76 170.3 8.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . 0.48 HG22 ' N ' ' A' ' 163' ' ' LEU . 29.4 mt -106.35 159.06 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.056 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.615 HD13 ' CZ ' ' A' ' 99' ' ' PHE . 1.8 tt -98.68 135.17 21.13 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . 0.521 ' O ' HD23 ' A' ' 163' ' ' LEU . 72.8 Cg_endo -74.93 178.93 6.58 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.51 2.14 . . . . 0.0 112.377 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -81.75 -29.11 32.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.8 -30.82 70.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.96 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.469 ' HB2' HD21 ' A' ' 163' ' ' LEU . 58.5 mm-40 -96.61 -22.14 17.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.217 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.72 -30.15 42.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.083 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -73.73 123.47 24.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 29.1 mt . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.932 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.549 -0.22 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -144.08 113.77 7.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.0 p -144.93 175.84 9.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.969 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 62.89 31.21 16.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.558 HD13 HD21 ' A' ' 21' ' ' LEU . 10.1 mt -116.06 145.35 43.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -145.54 132.66 20.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 m 60.62 31.74 20.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -116.53 173.75 6.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.4 t -128.88 128.16 67.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.558 HD21 HD13 ' A' ' 16' ' ' LEU . 33.6 mt -114.91 141.08 48.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -141.57 156.77 45.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -156.99 157.3 34.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.944 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.2 mmt-85 -116.25 167.32 11.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.807 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.15 -33.54 75.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.3 t -69.73 -33.59 72.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.98 -39.18 66.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 mt -85.44 -69.25 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 60.57 54.48 3.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 61.73 94.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -154.63 174.94 14.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -89.26 125.55 35.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.522 HG11 HD11 ' A' ' 45' ' ' LEU . 21.5 t -105.45 128.49 59.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.124 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.6 tp -126.12 127.16 45.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.741 ' HB2' HD12 ' A' ' 54' ' ' LEU . 3.3 mt -137.62 121.67 17.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.1 t -152.37 167.41 28.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.958 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 59.57 37.72 22.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.2 mt -108.68 148.11 30.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 m -148.52 114.62 5.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 61.36 30.84 19.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.9 t -106.99 135.95 47.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.31 139.06 30.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.48 141.31 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.195 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.557 ' O ' HD23 ' A' ' 45' ' ' LEU . 5.5 mtm180 -155.82 124.43 5.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.557 HD23 ' O ' ' A' ' 44' ' ' ARG . 12.0 mt -129.48 103.63 7.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -89.34 100.02 12.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 174.64 -133.29 2.44 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -151.87 67.95 7.32 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.958 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.42 158.2 5.92 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.518 2.146 . . . . 0.0 112.346 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -78.89 -63.97 1.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.8 m -135.44 106.58 6.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.666 HD21 HD21 ' A' ' 62' ' ' LEU . 30.9 tp -72.48 158.03 36.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.935 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -164.04 126.22 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.741 HD12 ' HB2' ' A' ' 35' ' ' LEU . 5.4 tp -139.16 126.23 21.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 51.1 p -149.38 159.6 44.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt 58.9 32.91 22.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.964 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.01 139.35 38.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -138.75 122.99 18.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m 60.37 30.67 20.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 36.4 m -109.54 155.87 20.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.1 mttt -118.92 141.44 48.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.666 HD21 HD21 ' A' ' 52' ' ' LEU . 32.0 tp -133.01 112.89 12.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.65 HD23 ' CB ' ' A' ' 82' ' ' ALA . 5.9 mt -128.52 103.72 7.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 30.9 p -132.41 166.89 20.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.92 -179.87 16.83 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.423 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -61.39 120.1 7.58 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.699 2.266 . . . . 0.0 112.205 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.483 HG22 ' N ' ' A' ' 68' ' ' SER . 13.1 p -59.2 158.92 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.188 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.483 ' N ' HG22 ' A' ' 67' ' ' VAL . 9.9 t -71.07 -51.56 24.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.962 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.2 p -113.43 -78.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.073 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.8 m -152.83 -179.95 8.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.642 HG13 ' HB3' ' A' ' 52' ' ' LEU . 22.0 t -125.42 158.88 33.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.488 ' N ' HG12 ' A' ' 71' ' ' VAL . 6.9 m-85 -129.24 129.41 44.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.939 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.483 HD13 HD13 ' A' ' 81' ' ' LEU . 6.9 tp -124.75 134.95 52.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.809 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -161.49 141.07 10.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 61.78 39.45 13.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 63.3 m -111.5 135.66 51.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.29 133.18 20.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 60.17 39.0 19.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.665 ' HB2' HG23 ' A' ' 96' ' ' THR . 1.9 m -115.13 159.35 21.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.5 89.99 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.483 HD13 HD13 ' A' ' 73' ' ' LEU . 1.6 tp -80.81 148.82 29.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.65 ' CB ' HD23 ' A' ' 63' ' ' LEU . . . -153.52 97.68 2.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.055 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.462 HG11 HG21 ' A' ' 71' ' ' VAL . 10.5 p -163.92 122.87 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.09 125.23 28.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.972 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.4 ' HB3' ' CG1' ' A' ' 67' ' ' VAL . 31.7 p -142.51 179.95 6.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.937 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -94.45 -42.33 8.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.758 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -126.72 156.34 41.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.746 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.449 HD22 HD11 ' A' ' 100' ' ' LEU . 24.4 tp -139.53 140.35 37.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.016 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.41 ' HD2' ' CE2' ' A' ' 72' ' ' PHE . 0.4 OUTLIER -131.8 103.52 6.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.516 HD12 HG12 ' A' ' 108' ' ' VAL . 3.8 mt -108.42 141.47 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.042 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -152.2 135.99 16.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m 58.09 33.27 23.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.072 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.443 ' O ' HD11 ' A' ' 114' ' ' ILE . 89.1 m -104.75 143.82 32.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.868 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.7 pttm -156.44 135.95 12.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.945 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 58.9 34.58 23.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.961 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.665 HG23 ' HB2' ' A' ' 79' ' ' CYS . 22.6 m -115.42 99.96 7.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.58 130.39 44.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.757 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.627 HG22 HD22 ' A' ' 100' ' ' LEU . 3.8 mt -126.57 134.34 66.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.178 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.608 ' CD2' ' HB3' ' A' ' 117' ' ' ALA . 30.5 m-85 -126.33 102.72 7.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.627 HD22 HG22 ' A' ' 98' ' ' ILE . 2.1 pt? -150.12 169.87 20.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.991 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -126.78 89.95 3.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.798 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 21.6 m -68.3 132.75 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.191 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 p -107.67 29.65 7.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.795 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 m -162.63 -68.98 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.3 169.21 2.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -134.26 157.68 45.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.066 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 32.3 mt -128.26 139.82 50.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.2 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.572 HG23 ' HA ' ' A' ' 147' ' ' ASP . 14.2 m -143.38 122.98 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.056 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -133.69 136.83 44.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.4 t70 61.2 31.42 19.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.822 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 18.2 m -109.99 160.1 16.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.933 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 47.5 m -160.09 136.49 8.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.51 28.55 70.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.495 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.443 HD11 ' O ' ' A' ' 93' ' ' THR . 28.7 mm -78.25 146.85 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.845 0.355 . . . . 0.0 111.055 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.27 133.63 55.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.519 ' CD2' HG21 ' A' ' 145' ' ' VAL . 74.0 m-85 -122.92 121.43 36.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.608 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . . . -127.1 157.84 70.91 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.165 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.454 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 55.4 Cg_endo -70.03 151.81 67.67 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.604 2.203 . . . . 0.0 112.302 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -89.35 124.24 34.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.8 t -140.33 66.34 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.464 ' O ' HD12 ' A' ' 126' ' ' ILE . 0.0 OUTLIER -113.44 90.52 3.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.4 m -92.91 152.04 19.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -151.97 166.34 15.47 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_exo -51.07 -27.29 21.3 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.536 2.157 . . . . 0.0 112.403 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -146.72 87.1 1.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.814 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.464 HD12 ' O ' ' A' ' 121' ' ' TRP . 17.5 tt -109.48 -25.46 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.249 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.92 -48.78 75.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 10.7 mttp -63.99 -37.51 87.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.6 -35.56 79.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -75.57 -37.05 60.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.823 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -63.39 -39.48 94.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.2 m -61.52 -33.98 74.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 19.9 p -87.06 -32.74 19.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.99 31.04 29.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.472 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 45.0 mt -92.43 134.74 34.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -86.78 120.35 27.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.57 -42.86 33.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.0 -36.78 78.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -100.85 122.77 44.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -173.77 171.16 3.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -160.63 84.49 0.69 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.805 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' TRP . . . . . 0.404 ' CZ3' ' OD1' ' A' ' 143' ' ' ASN . 67.0 p-90 -84.99 -22.54 29.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.156 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . 0.404 ' OD1' ' CZ3' ' A' ' 142' ' ' TRP . 25.6 m-20 -82.31 57.53 3.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.945 0.402 . . . . 0.0 110.957 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -170.16 111.89 0.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.811 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.519 HG21 ' CD2' ' A' ' 116' ' ' PHE . 21.3 t -130.28 121.67 51.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.183 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.66 104.05 16.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.798 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.572 ' HA ' HG23 ' A' ' 108' ' ' VAL . 10.5 p-10 -85.03 152.56 23.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.006 179.911 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 CA--C 1.528 0.113 0 CA-C-O 120.568 0.223 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -68.41 65.98 1.11 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.485 2.123 . . . . 0.0 112.249 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -149.18 -61.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 62.3 p-90 -95.33 171.14 8.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 1.4 m -154.93 160.37 41.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 27.8 mt -99.39 133.79 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 168' ' ' ARG . 22.6 tp -69.45 124.72 91.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.81 170.29 0.47 Allowed 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.355 2.037 . . . . 0.0 112.26 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -70.08 -42.85 72.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.751 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -59.88 -31.34 69.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.41 ' HB3' HD11 ' A' ' 163' ' ' LEU . 4.4 mm-40 -91.6 -23.72 19.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.065 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . 0.504 ' HA ' HD23 ' A' ' 163' ' ' LEU . 4.0 mtm-85 -54.65 -47.6 73.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.873 0.368 . . . . 0.0 111.055 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -73.13 105.53 4.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 30.7 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.023 -179.892 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -137.45 151.76 48.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.892 0.377 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.3 p -169.74 174.31 5.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 61.16 35.25 18.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.481 HD12 HD21 ' A' ' 38' ' ' LEU . 2.7 mt -119.67 148.32 43.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -146.05 125.29 12.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.23 35.38 20.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -113.96 163.5 15.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.55 HG22 ' OG1' ' A' ' 42' ' ' THR . 19.1 t -122.31 109.77 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.077 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.469 HD11 HD13 ' A' ' 16' ' ' LEU . 23.9 mt -93.88 144.59 25.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -140.28 131.18 26.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.617 ' HD2' HD22 ' A' ' 45' ' ' LEU . 18.4 mttm -128.02 179.54 5.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.85 173.48 11.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.16 -31.05 71.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.117 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.67 -32.73 62.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -70.3 -52.2 24.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 mt -60.19 -58.61 7.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.948 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.6 t60 59.99 34.04 21.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 60.17 87.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 -153.19 163.12 40.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.3 132.32 49.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.746 ' HB ' HD12 ' A' ' 52' ' ' LEU . 21.5 t -111.34 123.77 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.137 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.7 tp -129.18 137.3 51.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.514 ' HB3' HD11 ' A' ' 38' ' ' LEU . 3.7 mp -144.65 138.18 27.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.1 t -162.84 167.88 22.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 61.09 38.73 16.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.514 HD11 ' HB3' ' A' ' 35' ' ' LEU . 4.3 mt -112.71 136.99 51.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.63 111.99 12.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.4 t30 59.81 32.03 21.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.001 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.6 t -96.59 136.71 36.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.55 ' OG1' HG22 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -93.81 126.74 39.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.3 t -121.29 126.75 75.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.055 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -136.08 99.94 4.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.814 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.617 HD22 ' HD2' ' A' ' 23' ' ' LYS . 13.1 mt -98.76 140.19 33.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -126.99 131.26 51.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 134.14 -119.69 2.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.504 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -168.5 84.65 0.71 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.785 0.326 . . . . 0.0 110.777 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.27 164.88 34.23 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.531 2.154 . . . . 0.0 112.348 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.81 -69.66 0.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.2 m -136.85 113.99 10.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.0 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.746 HD12 ' HB ' ' A' ' 33' ' ' VAL . 27.8 tp -80.94 140.5 35.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -142.29 118.27 10.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.78 HD13 HD13 ' A' ' 62' ' ' LEU . 2.1 tp -121.0 132.35 54.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.0 p -153.53 155.21 35.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.052 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt 58.95 34.05 23.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.022 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.15 127.86 44.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -128.7 113.4 15.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.0 m 59.84 28.44 17.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.976 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 84.0 m -96.62 167.16 11.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.4 mttm -123.14 146.29 47.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.794 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.78 HD13 HD13 ' A' ' 54' ' ' LEU . 3.2 tt -152.25 125.1 8.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.829 HD23 ' HB3' ' A' ' 82' ' ' ALA . 5.3 mt -138.24 108.67 6.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.839 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.459 ' O ' HG23 ' A' ' 83' ' ' VAL . 49.3 t -130.89 156.95 44.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.991 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.79 -179.81 16.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.411 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.26 112.59 1.28 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.572 2.181 . . . . 0.0 112.223 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.491 HG22 ' N ' ' A' ' 68' ' ' SER . 11.3 p -64.5 158.74 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.491 ' N ' HG22 ' A' ' 67' ' ' VAL . 10.4 t -72.0 -52.97 14.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 p -98.57 -79.51 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.967 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.2 m -165.1 -179.97 6.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.938 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.553 HG13 ' HB3' ' A' ' 52' ' ' LEU . 21.6 t -121.61 157.87 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.464 ' N ' HG12 ' A' ' 71' ' ' VAL . 3.4 t80 -117.61 159.17 23.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.976 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.479 HD13 HD22 ' A' ' 81' ' ' LEU . 2.1 tp -159.34 107.57 1.8 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -142.19 145.78 34.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 63.3 34.22 13.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 95.5 m -107.5 146.47 31.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 66.0 p -154.97 131.76 10.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 59.78 33.32 21.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.949 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.656 ' H ' HG23 ' A' ' 96' ' ' THR . 0.1 OUTLIER -103.4 167.42 9.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.824 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -132.91 92.87 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.543 ' HB3' HG23 ' A' ' 98' ' ' ILE . 9.9 tp -90.66 153.68 20.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.829 ' HB3' HD23 ' A' ' 63' ' ' LEU . . . -157.97 97.26 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 64' ' ' CYS . 12.3 p -165.33 131.92 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.057 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.68 135.03 39.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.07 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.4 p -153.43 147.19 25.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.507 ' HG3' HD21 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -59.93 -41.49 91.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.3 171.12 14.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.993 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.664 HD21 HD11 ' A' ' 90' ' ' ILE . 21.5 tp -151.8 123.0 7.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.6 107.97 15.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.664 HD11 HD21 ' A' ' 88' ' ' LEU . 20.2 mt -112.02 154.15 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.404 ' N ' HG22 ' A' ' 90' ' ' ILE . 30.7 t-80 -165.04 138.47 4.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 60.0 m 60.05 35.31 21.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.2 m -113.04 154.34 26.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.22 137.87 3.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.94 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 59.92 39.83 19.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.972 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.656 HG23 ' H ' ' A' ' 79' ' ' CYS . 0.2 OUTLIER -120.38 113.76 20.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.402 HH21 HD11 ' A' ' 163' ' ' LEU . 14.7 mtp180 -75.59 129.33 37.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.77 HG22 HD22 ' A' ' 100' ' ' LEU . 19.9 mt -134.0 120.08 34.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.476 ' CD2' ' HB3' ' A' ' 117' ' ' ALA . 9.7 m-85 -111.96 101.61 9.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.77 HD22 HG22 ' A' ' 98' ' ' ILE . 2.3 pt? -142.57 179.75 6.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -136.74 93.63 2.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.9 m -84.32 132.03 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.7 p -95.6 -31.14 13.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.5 m -89.42 -71.66 0.59 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -176.97 179.15 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.842 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.403 ' HB3' HG12 ' A' ' 145' ' ' VAL . . . -137.41 143.33 41.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 30.4 mm -116.67 135.46 56.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.7 m -141.09 124.09 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.18 133.32 50.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.3 t0 59.99 31.33 20.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 7.8 m -94.4 149.43 21.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.92 124.22 4.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.52 30.69 48.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.481 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.439 HG22 ' N ' ' A' ' 115' ' ' GLN . 27.5 mm -87.87 156.69 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 111.122 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.439 ' N ' HG22 ' A' ' 114' ' ' ILE . 0.1 OUTLIER -128.98 139.86 51.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -130.36 134.86 47.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.582 ' HB1' ' HD3' ' A' ' 168' ' ' ARG . . . -154.15 152.63 26.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.093 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -51.84 157.06 6.09 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.594 2.196 . . . . 0.0 112.275 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.44 ' CZ ' ' HB2' ' A' ' 121' ' ' TRP . 19.5 t80 -63.06 158.34 19.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.971 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -148.67 97.53 2.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.44 ' HB2' ' CZ ' ' A' ' 119' ' ' TYR . 0.0 OUTLIER -173.27 144.8 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.1 m -123.52 155.54 37.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.445 ' CG ' ' HD2' ' A' ' 124' ' ' PRO . 0.1 OUTLIER -160.4 145.61 11.09 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.778 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' A' ' 123' ' ' TYR . 25.8 Cg_endo -62.13 -32.98 83.27 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.498 2.132 . . . . 0.0 112.338 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -121.24 45.21 2.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.81 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.423 HG12 ' CE2' ' A' ' 130' ' ' PHE . 7.7 tt -83.97 -29.74 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.163 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.63 -31.36 68.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.994 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -87.29 -29.57 21.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -58.62 -54.79 43.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.423 ' CE2' HG12 ' A' ' 126' ' ' ILE . 22.5 m-85 -60.18 -45.96 91.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -63.68 -32.82 74.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 26.4 m -62.06 -64.29 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.31 -31.17 68.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.815 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.97 27.42 5.67 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.551 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.507 HD21 ' HG3' ' A' ' 86' ' ' GLN . 92.5 mt -89.91 172.74 8.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.832 0.348 . . . . 0.0 110.852 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.54 155.68 38.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.81 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -106.08 -31.18 8.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.0 t -98.33 30.63 3.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.002 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -138.3 94.99 2.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -107.11 134.77 49.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -142.56 47.27 1.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.803 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' TRP . . . . . 0.407 ' O ' ' CE3' ' A' ' 142' ' ' TRP . 46.1 p-90 -96.78 39.43 1.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.966 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -130.29 -45.96 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.84 107.27 14.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.403 HG12 ' HB3' ' A' ' 106' ' ' ALA . 17.8 m -128.88 142.8 43.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.25 100.44 13.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -86.25 135.66 33.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.529 0.138 0 CA-C-O 120.508 0.194 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.98 60.75 6.23 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.554 2.169 . . . . 0.0 112.304 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -126.61 -51.97 1.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 41.7 p-90 -106.88 175.28 5.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 18.6 m -159.26 176.33 12.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . 0.477 HG22 ' N ' ' A' ' 163' ' ' LEU . 21.7 mt -117.3 158.6 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.077 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.521 HD21 ' O ' ' A' ' 167' ' ' GLU . 25.4 tp -101.12 130.14 25.63 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.792 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.72 153.58 18.81 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.419 2.08 . . . . 0.0 112.18 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -30.81 70.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -73.24 -28.41 62.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.521 ' O ' HD21 ' A' ' 163' ' ' LEU . 48.1 mt-10 -97.73 27.62 4.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.018 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . 0.582 ' HD3' ' HB1' ' A' ' 117' ' ' ALA . 8.5 mtm180 -102.46 -30.19 11.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.941 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -70.99 93.91 1.04 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.961 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 27.6 mm . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 179.88 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.425 ' H ' HD23 ' A' ' 35' ' ' LEU . 31.6 m-85 -124.14 137.89 54.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.8 0.333 . . . . 0.0 110.929 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 m -154.06 174.63 14.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 60.33 34.48 20.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.8 mt -132.86 140.31 47.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -143.17 150.56 39.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.961 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 m 59.59 32.53 21.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -121.66 168.38 11.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.6 110.31 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.474 HD12 HG22 ' A' ' 43' ' ' VAL . 16.0 mt -91.76 164.46 13.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -163.96 133.2 3.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -129.67 164.75 23.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -120.47 165.98 14.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.42 -43.88 97.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.052 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -66.53 -31.65 72.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -70.76 -40.27 72.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.5 mt -76.45 -61.66 1.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 60.53 43.16 13.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 63.65 78.15 0.3 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.837 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.74 -177.73 4.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -102.45 128.13 49.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -99.62 146.64 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 tp -149.16 102.74 3.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.73 ' HB2' HD12 ' A' ' 54' ' ' LEU . 54.9 mt -116.41 125.22 51.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.7 t -151.89 162.78 40.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.998 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 61.03 38.51 17.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.778 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 mt -120.81 137.78 54.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.88 127.77 23.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.702 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 61.01 30.43 19.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.6 t -115.37 107.37 15.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.434 HG23 ' HB2' ' A' ' 61' ' ' LYS . 3.5 m -69.74 138.26 52.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.474 HG22 HD12 ' A' ' 21' ' ' LEU . 21.5 t -130.85 140.02 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.3 mtt180 -141.05 125.99 18.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.4 mt -117.6 129.78 55.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -113.06 125.87 54.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 133.29 -137.35 9.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -151.8 87.23 4.43 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.721 0.296 . . . . 0.0 110.806 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -73.85 160.94 42.57 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.587 2.191 . . . . 0.0 112.4 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -69.12 -64.3 0.9 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.66 142.2 49.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.817 HD21 HD21 ' A' ' 62' ' ' LEU . 26.0 tp -109.62 122.81 48.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -129.77 115.19 16.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.852 HD13 HD13 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -130.96 128.81 41.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.3 p -150.29 162.52 40.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt 59.24 32.36 21.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.91 121.48 42.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -124.45 123.49 40.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.8 m 60.24 31.52 20.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.947 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 82.1 m -110.11 166.51 10.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.434 ' HB2' HG23 ' A' ' 42' ' ' THR . 25.8 mtpt -123.19 161.6 24.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.852 HD13 HD13 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -155.72 122.47 5.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.973 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.69 HD23 ' HB3' ' A' ' 82' ' ' ALA . 34.4 mt -130.83 99.96 5.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.753 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.428 ' O ' HG23 ' A' ' 83' ' ' VAL . 45.5 t -126.12 154.74 42.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.023 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.453 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -72.31 -179.79 34.79 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.45 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.753 ' HB2' HD12 ' A' ' 135' ' ' LEU . 12.8 Cg_endo -56.38 108.74 0.36 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.641 2.227 . . . . 0.0 112.102 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.487 HG22 ' N ' ' A' ' 68' ' ' SER . 11.9 p -57.36 158.73 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.142 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.487 ' N ' HG22 ' A' ' 67' ' ' VAL . 20.4 m -73.91 -51.25 16.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -102.12 -79.85 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.996 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.84 -179.95 7.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.614 HG13 ' HB3' ' A' ' 52' ' ' LEU . 25.0 t -119.57 157.04 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.086 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.457 ' N ' HG12 ' A' ' 71' ' ' VAL . 7.6 t80 -135.99 132.87 36.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.748 HD13 HD13 ' A' ' 81' ' ' LEU . 2.9 tp -125.43 145.4 50.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -165.48 139.07 4.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 60.85 40.0 16.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.959 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 9.1 m -110.2 148.2 32.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.5 p -159.43 132.59 7.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 59.88 30.47 20.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 t -104.96 160.69 14.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.979 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 30.3 t -125.45 89.95 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.974 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.748 HD13 HD13 ' A' ' 73' ' ' LEU . 7.0 tt -97.31 120.2 37.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.69 ' HB3' HD23 ' A' ' 63' ' ' LEU . . . -125.5 113.39 17.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.008 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.464 HG11 HD23 ' A' ' 52' ' ' LEU . 13.4 p -170.09 139.2 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.63 137.78 34.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.029 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.41 ' HB3' HG12 ' A' ' 67' ' ' VAL . 29.3 p -157.13 172.94 17.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.995 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -89.02 -42.21 11.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -129.1 163.47 25.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.404 HD22 HD11 ' A' ' 100' ' ' LEU . 21.5 tp -147.93 131.7 16.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.408 ' HB3' ' CE2' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -119.76 105.57 11.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.59 HD12 HG12 ' A' ' 108' ' ' VAL . 22.4 mt -103.38 147.23 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.133 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -160.2 132.65 6.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.983 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 m 58.75 29.04 18.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.008 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.443 ' O ' HD11 ' A' ' 114' ' ' ILE . 76.8 m -97.42 133.54 41.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.813 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.6 ptmm? -147.57 133.47 19.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.77 40.06 23.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.058 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.9 m -120.05 111.17 17.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 -80.23 112.12 17.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.514 HG22 HD22 ' A' ' 100' ' ' LEU . 1.4 mp -113.38 113.47 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.683 ' CD2' ' HB3' ' A' ' 117' ' ' ALA . 12.9 m-85 -101.06 92.38 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.798 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.514 HD22 HG22 ' A' ' 98' ' ' ILE . 2.0 pt? -129.44 178.99 6.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.982 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -135.95 90.01 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.795 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 18.7 m -79.57 138.22 20.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.202 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.82 -30.56 8.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.803 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 36.4 m -92.14 -69.9 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.34 177.73 1.45 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.712 ' HB3' HG13 ' A' ' 145' ' ' VAL . . . -136.79 152.44 50.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 21.8 mt -127.73 130.05 70.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.59 HG12 HD12 ' A' ' 90' ' ' ILE . 12.3 m -131.28 131.01 63.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.078 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -139.59 130.96 26.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.1 t0 60.03 31.63 20.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 21.9 m -110.75 155.65 22.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.5 m -155.41 134.38 12.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.963 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 76.75 27.88 60.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.572 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.443 HD11 ' O ' ' A' ' 93' ' ' THR . 26.7 mm -81.23 127.05 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 111.096 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.91 121.9 45.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.96 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -108.27 110.36 21.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.683 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . . . -121.26 146.5 44.76 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.038 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.45 -176.08 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.469 2.113 . . . . 0.0 112.347 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -93.65 101.39 13.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 40.6 p -83.34 -35.45 25.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.988 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.42 106.98 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -119.8 154.41 34.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.848 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.604 ' O ' HG22 ' A' ' 126' ' ' ILE . 0.2 OUTLIER -140.73 156.33 69.0 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.419 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 53.3 Cg_exo -52.45 -53.56 6.68 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.481 2.121 . . . . 0.0 112.276 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.87 38.33 1.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.604 HG22 ' O ' ' A' ' 123' ' ' TYR . 1.1 tp -76.16 -32.68 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.044 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.35 -48.19 81.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -60.26 -31.2 70.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -65.3 -46.9 78.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.956 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -64.59 -37.82 88.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -64.24 -31.6 72.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 18.3 m -60.41 -62.65 1.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 44.4 p -59.97 -34.05 72.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.2 28.09 5.64 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.753 HD12 ' HB2' ' A' ' 66' ' ' PRO . 83.5 mt -90.42 157.4 17.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.831 0.348 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -104.04 133.53 48.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.97 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -102.91 30.31 4.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.69 -61.49 1.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.958 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.44 130.56 35.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -140.85 121.06 13.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -123.54 51.64 1.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 45.2 p-90 -71.56 -31.25 66.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -62.41 -56.13 21.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.51 127.42 32.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.712 HG13 ' HB3' ' A' ' 106' ' ' ALA . 22.1 t -141.43 139.07 32.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -80.5 123.65 28.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.965 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.39 146.41 28.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.781 -180.0 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.704 0.287 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -73.33 61.5 4.19 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.511 2.141 . . . . 0.0 112.414 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -123.75 -41.72 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 32.8 p-90 -118.55 135.27 54.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.836 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 68.6 m -134.57 173.46 11.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 30.7 mm -113.83 139.28 40.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.703 HD21 ' O ' ' A' ' 167' ' ' GLU . 2.8 tp -79.4 138.43 55.52 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -67.86 148.12 76.1 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.447 2.098 . . . . 0.0 112.22 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.24 -27.71 64.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.032 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -70.2 -25.32 63.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.14 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.703 ' O ' HD21 ' A' ' 163' ' ' LEU . 38.4 mt-10 -96.92 28.29 3.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.071 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -105.96 32.14 4.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -129.68 87.08 2.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 3.6 mp . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -135.25 129.26 33.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.793 0.33 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.0 p -152.73 172.23 17.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 35.9 m120 60.35 37.66 20.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.717 HD13 HD11 ' A' ' 21' ' ' LEU . 3.0 mt -116.06 143.58 45.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -142.69 124.41 15.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.4 m 60.87 37.29 18.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -117.67 168.74 10.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.6 t -134.39 115.54 20.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.717 HD11 HD13 ' A' ' 16' ' ' LEU . 2.0 mt -104.2 156.23 18.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -147.42 111.21 5.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -105.7 179.43 4.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.29 -179.99 7.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -49.46 77.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.7 -33.01 73.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -33.89 67.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.845 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mt -83.3 -43.58 15.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.3 t60 59.71 24.83 13.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.046 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.07 84.08 0.08 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.009 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 45.0 mtt-85 -159.59 -178.75 7.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -69.26 149.2 48.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.594 ' HB ' HD12 ' A' ' 52' ' ' LEU . 21.5 t -124.88 158.55 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.48 ' N ' HG12 ' A' ' 33' ' ' VAL . 0.6 OUTLIER -145.55 128.84 16.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.443 HD13 ' CD1' ' A' ' 62' ' ' LEU . 7.2 mt -144.89 118.15 8.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.5 t -152.82 170.21 20.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 60.48 35.25 20.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.499 HD21 HD12 ' A' ' 16' ' ' LEU . 4.3 mt -108.83 133.55 52.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 m -137.48 122.99 19.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 59.36 31.22 20.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.5 t -110.41 163.97 13.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.8 m -128.77 142.99 50.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.18 132.84 66.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.137 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -126.09 100.01 6.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.6 mt -96.9 116.65 29.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.955 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -107.96 100.17 9.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 157.38 -147.73 16.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -142.26 83.84 11.93 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.726 0.298 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.86 172.45 12.72 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.56 2.173 . . . . 0.0 112.34 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -82.32 -66.76 0.85 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.969 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.17 108.65 8.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.997 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.688 ' HB3' HG22 ' A' ' 71' ' ' VAL . 41.3 tp -83.23 146.73 28.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.71 131.02 23.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.661 HD23 ' CD1' ' A' ' 73' ' ' LEU . 11.3 tp -142.37 103.3 4.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.6 p -133.49 161.97 33.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp 60.37 39.56 18.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.18 151.27 23.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.046 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -149.01 112.87 5.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 m 60.91 37.14 18.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 16.5 m -116.25 143.07 46.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.968 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -107.9 136.78 47.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.619 HD13 HD13 ' A' ' 54' ' ' LEU . 2.4 tt -132.97 134.32 44.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.971 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.409 HD13 ' HZ2' ' A' ' 121' ' ' TRP . 1.0 OUTLIER -133.59 120.14 20.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.813 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 51.5 t -142.83 155.82 44.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.35 -179.86 38.54 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.441 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.749 ' HB2' HD12 ' A' ' 135' ' ' LEU . 15.3 Cg_endo -57.11 106.29 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.751 2.301 . . . . 0.0 112.163 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.524 ' O ' HD11 ' A' ' 135' ' ' LEU . 11.9 p -58.17 158.82 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.266 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.494 ' N ' HG22 ' A' ' 67' ' ' VAL . 22.4 t -69.45 -54.89 12.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.23 -77.15 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.2 m -164.93 179.98 6.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.688 HG22 ' HB3' ' A' ' 52' ' ' LEU . 21.4 t -127.19 144.47 37.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -111.99 146.19 38.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.661 ' CD1' HD23 ' A' ' 54' ' ' LEU . 2.2 tp -142.9 135.09 27.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -160.44 148.3 16.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.025 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.02 39.74 19.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 73.9 m -118.19 131.78 56.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.8 p -138.96 139.09 37.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 59.86 30.93 20.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.69 ' HB2' HG23 ' A' ' 96' ' ' THR . 77.6 m -106.3 162.59 13.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.59 90.36 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.078 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.548 HD22 HD13 ' A' ' 73' ' ' LEU . 33.3 tp -87.21 152.77 22.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -156.53 99.49 1.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.044 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.596 HG11 HG21 ' A' ' 71' ' ' VAL . 11.3 p -159.23 122.74 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.046 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.23 138.71 57.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.467 ' HB3' HG12 ' A' ' 67' ' ' VAL . 28.8 p -163.89 154.72 15.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.414 ' HG3' HD22 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -67.73 -39.31 84.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -132.08 146.95 52.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.924 HD22 HD11 ' A' ' 100' ' ' LEU . 49.9 tp -128.6 105.58 8.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 70.8 mtm-85 -93.83 117.53 30.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.628 HD11 ' CD2' ' A' ' 88' ' ' LEU . 4.4 mt -125.15 137.48 57.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -150.64 134.91 17.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.94 36.51 12.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 32.1 m -110.22 146.12 36.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -158.11 133.72 8.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.988 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.4 t0 59.24 38.24 23.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.69 HG23 ' HB2' ' A' ' 79' ' ' CYS . 32.0 m -121.58 102.89 8.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.984 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -67.44 141.14 57.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.974 HG22 HD22 ' A' ' 100' ' ' LEU . 24.4 mt -138.81 116.45 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.732 ' CZ ' HD22 ' A' ' 163' ' ' LEU . 5.3 m-85 -104.37 95.82 6.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.974 HD22 HG22 ' A' ' 98' ' ' ILE . 2.3 pt? -142.47 172.19 13.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -124.11 102.92 7.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 8.1 m -89.42 121.27 39.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 47.0 p -77.53 -32.0 53.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 m -102.28 -71.58 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -174.73 167.14 3.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.482 ' HB3' HG13 ' A' ' 145' ' ' VAL . . . -111.34 126.29 54.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 21.3 mt -88.89 122.41 40.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.074 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 146' ' ' ASP . 19.8 m -127.82 156.74 39.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -168.25 126.63 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.919 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 60.74 31.57 20.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.603 ' SG ' HG22 ' A' ' 90' ' ' ILE . 85.5 m -114.34 128.51 56.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.83 139.53 47.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.36 28.42 57.88 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 25.0 mm -85.01 147.76 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.834 0.349 . . . . 0.0 111.11 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -125.18 116.67 22.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -99.38 165.73 11.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.945 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -169.97 152.38 4.39 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.09 145.51 49.7 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.599 2.199 . . . . 0.0 112.284 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.514 ' O ' HG23 ' A' ' 120' ' ' THR . 38.6 t80 -83.82 133.98 34.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 119' ' ' TYR . 2.1 p -160.04 42.0 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.996 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.435 ' HB2' ' CZ ' ' A' ' 119' ' ' TYR . 0.1 OUTLIER -61.97 163.13 8.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 49.2 m -118.04 123.75 46.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.493 ' O ' HG22 ' A' ' 126' ' ' ILE . 2.2 t80 -161.26 140.79 7.84 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.446 ' HD2' ' CG ' ' A' ' 123' ' ' TYR . 30.8 Cg_endo -63.64 -23.16 70.11 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.467 2.111 . . . . 0.0 112.308 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -121.26 53.9 1.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.493 HG22 ' O ' ' A' ' 123' ' ' TYR . 9.0 tt -110.02 -44.71 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.167 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.487 ' N ' HG23 ' A' ' 126' ' ' ILE . 25.5 m-20 -65.03 -32.69 74.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.961 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -79.03 -35.1 43.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.92 -34.73 75.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.27 -32.3 73.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -77.6 -39.99 43.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.6 m -60.23 -31.63 70.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 76.8 p -79.85 -43.51 22.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 102.47 31.03 5.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.534 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.749 HD12 ' HB2' ' A' ' 66' ' ' PRO . 12.1 mt -106.41 150.78 25.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.754 0.311 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.93 130.78 42.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -93.81 -33.86 13.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.1 m -68.53 -37.93 80.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.62 105.24 9.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -118.59 163.38 16.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -176.22 40.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 60.9 p-90 -72.4 -27.81 62.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -57.3 -30.79 65.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.049 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.57 109.89 22.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.811 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.482 HG13 ' HB3' ' A' ' 106' ' ' ALA . 21.6 t -116.55 143.04 27.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.128 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . 0.477 ' O ' HG22 ' A' ' 108' ' ' VAL . 2.5 m-20 -90.56 115.56 27.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.801 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -103.09 125.43 49.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.973 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.955 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 CA--C 1.529 0.135 0 CA-C-O 120.507 0.194 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -68.8 63.99 1.28 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.4 2.067 . . . . 0.0 112.302 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -119.0 -41.09 2.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.809 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 31.6 p-90 -116.65 115.75 26.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.3 175.6 6.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 28.7 mt -127.01 139.87 50.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.096 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.732 HD22 ' CZ ' ' A' ' 99' ' ' PHE . 5.5 tp -65.56 139.96 97.36 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . 0.45 ' HD2' HD12 ' A' ' 163' ' ' LEU . 40.5 Cg_endo -67.33 -167.75 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.454 2.103 . . . . 0.0 112.221 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -99.92 -29.19 12.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.994 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -71.28 -25.58 62.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -93.54 17.34 11.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.411 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.91 -31.01 31.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -72.0 77.6 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.947 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 10.1 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.079 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.471 ' CD2' HD13 ' A' ' 21' ' ' LEU . 4.2 m-85 -153.51 148.09 26.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.8 m -160.62 173.13 15.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.0 m120 60.6 39.76 17.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.608 HD13 HD11 ' A' ' 21' ' ' LEU . 1.6 mt -125.93 164.78 20.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -170.06 134.72 1.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.5 33.55 20.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -120.28 170.29 9.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.35 111.39 16.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.111 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.608 HD11 HD13 ' A' ' 16' ' ' LEU . 5.8 mt -106.3 171.74 7.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -151.24 126.46 9.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -115.8 141.39 48.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 ttt85 -116.71 168.61 10.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.14 -31.02 68.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.161 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.6 m -73.12 -34.06 65.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -72.45 -40.11 67.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.805 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.438 HD13 ' HG3' ' A' ' 49' ' ' PRO . 1.4 mt -84.94 -67.27 0.81 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.8 t60 58.26 51.61 8.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.993 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.426 ' HA ' ' HA ' ' A' ' 49' ' ' PRO . 21.9 mt-30 60.08 69.2 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.93 153.83 44.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.837 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.94 138.79 58.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.514 ' HB ' HD12 ' A' ' 52' ' ' LEU . 21.5 t -112.66 116.43 52.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.0 tp -106.26 125.9 51.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.962 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.453 HD23 ' O ' ' A' ' 13' ' ' PHE . 13.1 mt -143.36 115.66 8.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 t -153.87 168.54 26.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.992 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 60.58 39.54 17.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.6 mp -111.7 168.22 9.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.55 112.83 1.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 60.72 31.46 20.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -97.38 127.72 43.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.02 133.84 37.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.6 t -139.93 142.27 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.173 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -133.08 105.07 6.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.701 HD12 ' HB2' ' A' ' 64' ' ' CYS . 10.5 mt -90.09 143.64 26.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -139.08 112.65 8.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 146.01 -152.78 24.84 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.471 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -133.42 65.34 71.96 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.776 0.322 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.438 ' HG3' HD13 ' A' ' 28' ' ' LEU . 50.9 Cg_exo -53.16 176.91 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.573 2.182 . . . . 0.0 112.334 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -86.61 -57.5 2.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -142.77 141.31 31.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.63 HD21 ' CD2' ' A' ' 62' ' ' LEU . 14.4 tp -107.59 129.65 54.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -128.25 135.45 49.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.4 tp -149.72 119.28 6.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.6 p -144.87 157.17 44.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.6 mttm 59.37 30.51 20.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.49 162.92 15.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -163.2 113.78 1.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.7 m 61.03 31.26 19.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 81.1 m -104.6 137.21 42.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -105.76 136.47 45.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.63 ' CD2' HD21 ' A' ' 52' ' ' LEU . 9.6 tp -139.81 128.1 22.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.493 HD23 ' HB3' ' A' ' 82' ' ' ALA . 1.2 mt -131.44 102.95 6.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.701 ' HB2' HD12 ' A' ' 45' ' ' LEU . 42.7 t -125.37 152.85 44.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.471 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -67.73 -179.87 15.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.484 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.529 ' HB2' HD12 ' A' ' 135' ' ' LEU . 12.4 Cg_endo -55.88 109.89 0.49 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.688 2.258 . . . . 0.0 112.199 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.483 HG22 ' N ' ' A' ' 68' ' ' SER . 12.0 p -57.5 158.6 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.256 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.483 ' N ' HG22 ' A' ' 67' ' ' VAL . 1.3 m -72.39 -51.43 20.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.925 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.6 p -104.1 -79.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.069 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.05 -179.99 7.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.976 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.485 HG12 ' N ' ' A' ' 72' ' ' PHE . 28.6 t -115.92 159.04 16.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.051 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.485 ' N ' HG12 ' A' ' 71' ' ' VAL . 81.9 m-85 -131.16 130.18 42.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.946 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.65 HD23 HG23 ' A' ' 90' ' ' ILE . 2.2 tp -131.5 140.48 49.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.831 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -165.51 137.55 4.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.97 40.0 12.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.411 ' O ' HG23 ' A' ' 93' ' ' THR . 70.7 m -111.2 140.66 45.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.6 p -151.72 136.87 17.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 59.59 33.71 22.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.572 ' HB2' HG23 ' A' ' 96' ' ' THR . 20.2 m -107.01 162.55 13.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.952 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -126.78 91.04 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.618 ' HB3' HG23 ' A' ' 98' ' ' ILE . 1.2 tp -92.58 149.3 21.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.493 ' HB3' HD23 ' A' ' 63' ' ' LEU . . . -156.13 104.47 2.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.028 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 65' ' ' GLY . 10.5 p -169.59 127.58 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.16 146.48 45.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.437 ' HB3' HG12 ' A' ' 67' ' ' VAL . 30.6 p -163.37 172.67 14.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.968 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.59 -42.13 17.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.948 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -133.02 158.53 42.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.868 HD22 HD11 ' A' ' 100' ' ' LEU . 44.0 tp -135.16 143.32 46.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.4 ttp85 -137.4 123.7 20.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.96 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.65 HG23 HD23 ' A' ' 73' ' ' LEU . 17.2 mt -128.23 154.72 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.064 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.419 ' N ' HG22 ' A' ' 90' ' ' ILE . 0.8 OUTLIER -158.69 130.85 6.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.003 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.7 m 58.91 38.02 24.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.03 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.661 ' O ' HD11 ' A' ' 114' ' ' ILE . 74.4 m -111.64 146.73 36.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.48 141.35 9.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 60.62 35.62 19.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.572 HG23 ' HB2' ' A' ' 79' ' ' CYS . 38.3 m -115.6 131.55 56.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -92.91 124.5 36.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.983 HG22 HD22 ' A' ' 100' ' ' LEU . 3.0 mp -130.94 115.72 31.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.047 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -105.92 96.93 6.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.983 HD22 HG22 ' A' ' 98' ' ' ILE . 2.5 pt? -140.07 166.97 23.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -123.73 90.66 3.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 31.0 m -71.09 135.87 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 64.8 p -104.61 -31.24 9.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.7 m -94.55 -77.14 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.934 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -163.66 171.96 14.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.422 ' HB3' HG13 ' A' ' 145' ' ' VAL . . . -129.58 139.76 51.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.067 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 31.0 mt -117.11 131.0 71.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.159 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.455 HG12 HD12 ' A' ' 90' ' ' ILE . 6.3 m -145.05 111.7 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -129.85 143.74 50.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 60.54 31.35 20.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 37.9 m -118.15 165.59 13.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -166.16 137.51 3.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.55 29.25 64.0 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.661 HD11 ' O ' ' A' ' 93' ' ' THR . 30.5 mm -80.48 156.8 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.801 0.334 . . . . 0.0 111.09 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.444 ' N ' HG22 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -117.16 120.71 39.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.41 ' HE1' HD23 ' A' ' 88' ' ' LEU . 7.7 m-85 -112.77 117.72 32.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -144.24 153.64 56.42 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.97 160.95 47.8 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.579 2.186 . . . . 0.0 112.315 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -74.61 134.79 42.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 9.9 m -143.9 104.04 4.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -164.79 65.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 23.0 m -65.36 127.16 30.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -132.8 158.29 76.16 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.17 -40.9 68.07 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.562 2.175 . . . . 0.0 112.217 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -124.27 69.44 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -107.66 -29.36 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.061 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -58.6 -28.23 65.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.16 -31.59 61.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -65.67 -44.04 87.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -68.04 -31.52 71.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -67.07 -34.39 77.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.972 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.2 m -59.98 -62.54 1.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 24.0 p -60.37 -43.01 96.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.33 28.4 8.57 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.471 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.529 HD12 ' HB2' ' A' ' 66' ' ' PRO . 11.0 mt -84.25 -179.06 7.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.776 0.322 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -118.25 137.47 53.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.931 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -93.98 -38.15 11.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 8.9 p -65.41 -40.86 93.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -77.9 128.14 33.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -139.04 150.28 45.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -158.93 37.18 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 -70.87 -31.63 68.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -63.09 -33.02 74.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -82.26 127.23 32.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.422 HG13 ' HB3' ' A' ' 106' ' ' ALA . 21.4 t -144.44 133.53 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.062 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -86.12 158.52 19.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.984 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -143.68 137.82 28.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.959 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 CA--C 1.529 0.147 0 CA-C-O 120.578 0.228 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.64 64.03 1.22 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.469 2.113 . . . . 0.0 112.307 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -134.24 -46.61 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 59.8 p-90 -126.26 144.8 50.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -133.97 155.86 49.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 30.6 mt -89.59 138.51 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.665 HD23 ' HG2' ' A' ' 168' ' ' ARG . 4.2 tp -75.25 133.07 75.27 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.79 177.54 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.378 2.052 . . . . 0.0 112.253 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -95.15 47.54 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -132.35 -45.68 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.956 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.432 ' O ' HD21 ' A' ' 163' ' ' LEU . 2.0 mm-40 -98.82 30.38 3.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.042 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . 0.665 ' HG2' HD23 ' A' ' 163' ' ' LEU . 8.4 mtt180 -86.33 -45.84 10.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -95.96 74.04 3.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 2.4 mp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.022 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.649 ' CG ' HD13 ' A' ' 21' ' ' LEU . 44.5 m-85 -129.98 143.6 50.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.751 0.31 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.8 p -162.68 173.12 14.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.4 m120 60.15 37.38 20.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.867 HD13 HD11 ' A' ' 21' ' ' LEU . 1.3 mt -123.21 141.64 51.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -139.55 124.14 18.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 t 60.52 32.82 20.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -110.04 171.41 7.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.8 121.68 60.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.12 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.867 HD11 HD13 ' A' ' 16' ' ' LEU . 11.7 mt -118.06 158.15 25.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.47 142.31 4.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.437 ' HZ2' ' HE2' ' A' ' 13' ' ' PHE . 13.6 mtmm -139.9 153.49 46.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -113.16 172.4 6.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.97 -31.15 69.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.056 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 m -66.29 -33.04 74.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -82.17 -54.1 5.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.787 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.2 mt -66.65 -62.66 1.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.005 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.0 t60 60.8 42.39 13.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.941 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 61.02 83.01 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -151.51 157.92 42.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -68.49 145.59 53.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -138.7 121.04 17.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.9 tp -107.93 129.33 55.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.961 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.628 ' HB2' HD12 ' A' ' 54' ' ' LEU . 1.7 mt -125.55 137.19 53.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.94 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 t -167.96 168.81 11.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 61.36 39.36 15.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.543 HD11 ' HB3' ' A' ' 35' ' ' LEU . 3.6 mt -109.94 159.62 17.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.6 t -160.47 113.69 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 60.13 30.03 19.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.018 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.2 t -97.71 146.21 25.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.13 128.85 56.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.522 ' HB ' HD12 ' A' ' 62' ' ' LEU . 21.5 t -133.69 130.34 56.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.12 100.01 4.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.3 mt -86.95 156.84 19.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -144.29 100.2 3.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 167.71 -119.4 0.84 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.552 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -168.17 84.93 0.73 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.735 0.303 . . . . 0.0 110.833 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.7 -179.92 3.7 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.524 2.15 . . . . 0.0 112.325 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.99 -62.83 1.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.57 HG23 ' OG1' ' A' ' 69' ' ' THR . 0.2 OUTLIER -140.4 106.92 5.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.652 HD21 HD21 ' A' ' 62' ' ' LEU . 59.4 tp -83.07 144.79 29.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -147.94 124.74 11.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.628 HD12 ' HB2' ' A' ' 35' ' ' LEU . 4.2 tp -128.01 121.89 30.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.8 p -144.49 158.72 43.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.998 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.5 mtmm 60.15 39.93 18.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -113.84 139.3 49.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.059 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -138.0 126.65 23.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.8 m 58.33 27.02 14.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.052 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 22.0 m -103.96 158.26 16.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -125.46 123.56 39.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.652 HD21 HD21 ' A' ' 52' ' ' LEU . 5.2 tp -122.14 132.24 54.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.498 HD23 ' HB3' ' A' ' 82' ' ' ALA . 2.8 mt -136.35 123.17 21.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.812 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 41.9 t -145.11 156.19 43.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.033 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.526 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -68.46 -179.91 19.58 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.53 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -62.27 109.92 0.94 Allowed 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.684 2.256 . . . . 0.0 112.164 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.538 HG12 ' HB3' ' A' ' 85' ' ' CYS . 11.8 p -62.67 158.49 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.116 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.485 ' N ' HG22 ' A' ' 67' ' ' VAL . 23.0 t -67.16 -53.55 29.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.956 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.57 ' OG1' HG23 ' A' ' 51' ' ' THR . 0.8 OUTLIER -97.08 -76.85 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.99 -179.93 3.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.94 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.97 HG21 HG11 ' A' ' 83' ' ' VAL . 21.5 t -122.94 159.11 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.488 ' N ' HG12 ' A' ' 71' ' ' VAL . 7.5 m-85 -125.38 157.92 35.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.831 HD13 HD22 ' A' ' 81' ' ' LEU . 2.9 tp -151.84 123.76 8.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.822 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -146.6 141.65 27.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.054 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.8 35.23 19.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.7 m -104.84 135.01 47.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.7 m -145.19 134.15 22.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 60.02 29.72 19.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.66 168.65 9.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -128.01 89.96 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.045 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.831 HD22 HD13 ' A' ' 73' ' ' LEU . 23.8 tp -87.44 139.56 30.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.498 ' HB3' HD23 ' A' ' 63' ' ' LEU . . . -153.19 103.5 2.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.04 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.97 HG11 HG21 ' A' ' 71' ' ' VAL . 12.9 p -166.57 116.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.94 139.51 58.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.042 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.538 ' HB3' HG12 ' A' ' 67' ' ' VAL . 6.0 p -163.71 177.52 8.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -90.92 -30.91 16.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.983 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -138.03 146.92 43.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.701 HD22 HD11 ' A' ' 100' ' ' LEU . 18.7 tp -140.0 117.37 11.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -105.54 116.2 31.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.698 HD11 ' CD2' ' A' ' 88' ' ' LEU . 6.9 mt -120.43 137.04 55.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.433 ' CD2' ' HB3' ' A' ' 109' ' ' GLU . 75.7 m80 -148.41 143.16 26.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.88 30.04 15.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.622 ' O ' HD11 ' A' ' 114' ' ' ILE . 56.0 m -104.01 141.4 36.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.29 140.74 17.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.3 t0 60.7 30.25 19.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.9 m -115.91 120.72 40.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.424 ' HB3' ' CE1' ' A' ' 99' ' ' PHE . 91.6 mtt180 -87.61 121.11 29.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.034 HG22 HD22 ' A' ' 100' ' ' LEU . 3.6 mp -116.03 112.6 40.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.076 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.605 ' CD2' ' HB3' ' A' ' 117' ' ' ALA . 16.4 m-85 -105.5 102.0 11.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 1.034 HD22 HG22 ' A' ' 98' ' ' ILE . 2.1 pt? -149.36 172.61 14.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.83 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -120.1 95.13 4.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.543 HG11 ' HB2' ' A' ' 106' ' ' ALA . 9.1 m -74.04 131.22 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 76.9 p -100.27 -31.33 11.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.938 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.53 -69.96 0.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -178.14 155.96 0.98 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.569 ' HB3' HG12 ' A' ' 145' ' ' VAL . . . -112.56 136.67 51.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 31.3 mt -105.21 139.16 27.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.129 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 16.8 m -144.74 147.88 18.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.433 ' HB3' ' CD2' ' A' ' 91' ' ' HIS . 1.8 tm-20 -168.52 141.05 2.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 61.34 29.89 18.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 84.5 m -106.81 173.98 6.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.974 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.5 m -169.98 118.84 0.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.09 38.97 17.32 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.529 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.622 HD11 ' O ' ' A' ' 93' ' ' THR . 25.8 mm -86.87 142.99 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.368 . . . . 0.0 111.078 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -114.54 122.47 46.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.604 ' O ' HG23 ' A' ' 162' ' ' ILE . 40.2 m-85 -112.99 109.17 18.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.605 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . . . -126.74 155.2 75.52 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.433 ' HG3' ' CE2' ' A' ' 142' ' ' TRP . 52.4 Cg_exo -54.71 161.49 5.97 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.634 2.222 . . . . 0.0 112.246 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -71.35 122.82 20.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 17.8 p -133.29 102.97 5.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.406 ' CE2' ' HB3' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -174.16 131.23 0.39 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 179.914 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.4 t 60.9 -173.63 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.455 ' O ' HG22 ' A' ' 126' ' ' ILE . 0.1 OUTLIER -179.71 -52.81 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.978 179.896 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.427 ' HD3' ' CB ' ' A' ' 123' ' ' TYR . 38.2 Cg_exo -60.33 -32.41 94.06 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.38 2.053 . . . . 0.0 112.285 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -133.35 52.37 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.455 HG22 ' O ' ' A' ' 123' ' ' TYR . 5.9 tp -109.92 -36.28 2.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -62.97 -30.4 71.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -67.11 -31.78 72.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -70.86 -50.0 40.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -60.8 -31.75 71.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -77.33 -37.25 52.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 74.2 m -63.36 -55.38 24.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.2 -42.01 97.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 102.09 28.6 6.44 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.568 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 8.6 mt -91.95 179.6 5.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.756 0.313 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.19 144.63 32.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 52.7 mtm180 -101.13 -38.61 8.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 67.4 m -86.93 -40.09 15.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.04 90.43 3.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -158.52 157.41 32.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.813 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . 0.445 ' O ' HG23 ' A' ' 102' ' ' VAL . 1.1 t30 -149.73 100.91 3.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' TRP . . . . . 0.433 ' CE2' ' HG3' ' A' ' 118' ' ' PRO . 57.3 p-90 -100.51 30.54 3.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -135.03 31.71 3.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -163.82 105.94 0.94 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.569 HG12 ' HB3' ' A' ' 106' ' ' ALA . 28.6 m -125.08 169.42 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -102.39 115.69 31.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -92.6 147.91 22.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 17.7 m . . . . . 0 CA--C 1.528 0.104 0 CA-C-O 120.697 0.284 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -68.68 65.0 1.23 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.542 2.161 . . . . 0.0 112.281 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -135.88 -48.93 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.799 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 66.8 p-90 -117.49 134.06 55.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 7.3 m -112.99 179.97 3.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . 0.604 HG23 ' O ' ' A' ' 116' ' ' PHE . 32.9 mt -117.68 139.57 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.452 HD12 ' HD2' ' A' ' 164' ' ' PRO . 14.6 tp -68.52 137.63 90.97 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.824 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . 0.452 ' HD2' HD12 ' A' ' 163' ' ' LEU . 51.5 Cg_endo -69.1 -174.79 0.83 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.457 2.104 . . . . 0.0 112.25 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -102.07 31.61 3.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -113.18 -36.64 4.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -113.3 34.63 4.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -62.16 1.73 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -77.25 113.41 14.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.941 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -101.25 131.53 47.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.824 0.345 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.55 171.27 20.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 62.99 32.94 15.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.507 ' HB2' HD23 ' A' ' 38' ' ' LEU . 11.7 mt -123.45 172.82 8.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -169.86 135.39 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.5 p 58.53 34.39 23.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.988 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -110.31 171.5 7.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.29 103.09 10.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.042 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.9 mt -92.57 170.36 9.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -168.63 134.56 1.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -136.19 167.37 21.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.16 175.82 10.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.5 -41.41 89.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.189 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.6 t -62.01 -31.34 71.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -88.55 -37.98 15.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.947 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mt -86.08 -70.62 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 61.47 50.43 4.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 60.31 80.08 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.963 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -144.47 169.04 18.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -76.37 132.33 39.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -122.34 129.12 75.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 29.4 tp -131.79 133.76 45.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.658 ' HB2' HD12 ' A' ' 54' ' ' LEU . 3.1 mt -134.27 113.06 11.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.5 t -145.67 166.73 24.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 60.23 34.95 20.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.507 HD23 ' HB2' ' A' ' 16' ' ' LEU . 2.9 mt -119.87 150.99 39.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.974 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.3 125.04 12.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.863 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 60.79 31.07 20.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 24.3 t -110.18 117.86 34.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.495 HG23 ' HB2' ' A' ' 61' ' ' LYS . 4.1 m -87.51 145.58 26.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -135.49 135.86 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.129 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.8 mtp85 -128.86 109.81 11.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.62 HD12 ' HB3' ' A' ' 64' ' ' CYS . 3.1 mt -109.16 136.24 48.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -133.5 102.21 5.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 172.09 -109.46 0.31 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.534 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -176.2 66.19 0.23 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.869 0.366 . . . . 0.0 110.841 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.5 167.07 0.62 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.63 2.22 . . . . 0.0 112.299 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -77.78 -62.7 1.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -144.7 110.76 5.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.849 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.599 ' HB3' HG22 ' A' ' 71' ' ' VAL . 13.5 tp -72.6 153.54 41.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.0 ttm-85 -159.11 118.99 3.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.658 HD12 ' HB2' ' A' ' 35' ' ' LEU . 5.6 tp -126.33 125.09 41.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.751 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.8 p -148.0 154.37 40.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.977 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.7 mmtt 59.34 35.73 23.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.966 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.09 142.51 35.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.059 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -144.86 127.64 16.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.5 m 58.79 30.24 19.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.033 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.2 m -113.12 141.27 47.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.495 ' HB2' HG23 ' A' ' 42' ' ' THR . 19.3 mtmt -105.58 129.31 53.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.674 HD23 ' CD1' ' A' ' 81' ' ' LEU . 17.8 tp -120.01 128.03 53.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mt -138.69 120.68 15.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.811 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.62 ' HB3' HD12 ' A' ' 45' ' ' LEU . 28.0 p -155.01 163.27 40.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.427 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -69.48 -179.97 24.34 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.439 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.408 ' HG3' ' CD1' ' A' ' 130' ' ' PHE . 22.7 Cg_endo -61.23 126.33 19.12 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.621 2.214 . . . . 0.0 112.274 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.4 HG12 ' HB3' ' A' ' 85' ' ' CYS . 11.7 p -67.96 149.05 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.133 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 m -60.27 -52.88 63.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.1 -78.79 0.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.79 179.97 7.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.759 HG21 HG11 ' A' ' 83' ' ' VAL . 21.7 t -121.88 158.66 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.485 ' N ' HG12 ' A' ' 71' ' ' VAL . 63.4 m-85 -134.89 131.38 37.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.415 HD23 HG23 ' A' ' 90' ' ' ILE . 3.8 tp -122.38 140.3 52.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.803 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -164.12 136.16 4.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.978 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.27 40.05 9.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 53.4 m -113.74 135.93 53.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.8 p -146.99 136.54 22.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.792 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 60.03 37.07 21.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.75 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -114.82 156.77 24.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.78 89.96 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.023 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.674 ' CD1' HD23 ' A' ' 62' ' ' LEU . 21.4 tp -84.34 150.31 25.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.006 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -155.18 102.26 2.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.962 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.759 HG11 HG21 ' A' ' 71' ' ' VAL . 11.1 p -164.23 119.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.159 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.91 107.39 4.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.175 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.4 ' HB3' HG12 ' A' ' 67' ' ' VAL . 24.8 p -128.83 147.87 50.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -59.14 -44.62 92.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -131.03 146.86 52.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.641 ' CD2' HD11 ' A' ' 90' ' ' ILE . 10.3 tp -130.46 129.29 42.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.26 111.1 17.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.641 HD11 ' CD2' ' A' ' 88' ' ' LEU . 4.5 mt -110.2 155.13 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.036 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.432 ' N ' HG22 ' A' ' 90' ' ' ILE . 58.2 t-80 -167.94 140.24 3.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.3 m 57.29 31.06 19.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 30.5 m -102.89 139.94 37.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.963 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 46.4 tttm -146.75 128.16 14.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.01 39.07 20.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.0 m -113.88 113.18 24.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 51.5 mtt85 -80.0 125.52 29.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.982 HG22 HD22 ' A' ' 100' ' ' LEU . 1.7 mp -123.49 112.57 33.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.18 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.57 ' CZ ' HD13 ' A' ' 163' ' ' LEU . 22.5 m-85 -105.77 92.04 4.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.982 HD22 HG22 ' A' ' 98' ' ' ILE . 2.5 pt? -134.6 175.77 9.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.992 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -126.94 89.93 3.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.793 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.77 HG23 ' O ' ' A' ' 141' ' ' ASN . 8.9 m -77.82 135.87 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 17.2 p -105.69 -31.58 8.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.01 -72.81 0.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -173.3 170.84 4.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -131.93 143.57 50.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.012 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 6.7 mt -119.54 149.65 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 108' ' ' VAL . 17.2 m -146.8 117.56 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.401 ' OE2' ' CD2' ' A' ' 148' ' ' PHE . 9.8 mt-10 -125.41 129.31 49.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.3 t70 61.12 31.53 19.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 21.9 m -104.31 166.49 10.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.97 143.03 2.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 61.61 34.33 88.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.543 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 28.6 mm -85.36 140.9 15.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 0.0 111.102 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.4 111.81 22.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -96.24 151.61 19.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -168.47 154.9 6.96 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.92 177.23 5.9 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.547 2.164 . . . . 0.0 112.266 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.413 ' CE2' ' HB3' ' A' ' 121' ' ' TRP . 9.6 t80 -80.0 103.64 10.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 7.2 t -96.76 41.23 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.413 ' HB3' ' CE2' ' A' ' 119' ' ' TYR . 0.0 OUTLIER -131.25 130.65 43.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.871 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.9 t -136.83 156.44 48.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -153.73 165.39 17.92 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.39 -28.31 53.05 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.552 2.168 . . . . 0.0 112.284 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -125.24 63.91 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 9.4 tp -95.48 -30.69 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -73.93 -21.42 60.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.176 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -75.15 -32.27 61.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.863 0.363 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -65.71 -44.9 84.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.408 ' CD1' ' HG3' ' A' ' 66' ' ' PRO . 5.9 m-85 -67.81 -31.16 70.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -74.05 -39.13 63.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.3 m -60.19 -45.37 93.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 58.8 p -81.54 -31.11 32.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 99.37 28.27 7.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.5 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 85.9 mt -94.66 156.86 16.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.828 0.347 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -100.5 157.03 16.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.35 -32.17 10.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.72 -46.77 88.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -60.42 122.55 14.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -142.37 85.89 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.923 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . 0.77 ' O ' HG23 ' A' ' 102' ' ' VAL . 0.6 OUTLIER -113.55 84.33 2.0 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 38.3 p-90 -105.97 35.07 3.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -126.47 -43.04 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -56.62 108.76 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.113 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 9.5 p -143.32 146.34 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -105.43 121.29 43.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.05 125.04 44.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.401 ' CD2' ' OE2' ' A' ' 109' ' ' GLU . 34.5 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.619 0.247 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -68.75 63.54 1.26 Allowed 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.478 2.119 . . . . 0.0 112.343 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -135.84 -47.19 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 14.9 p-90 -120.86 144.59 48.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.796 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -138.27 155.28 48.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.99 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 7.1 mt -91.38 146.57 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.992 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.583 HD22 ' HG2' ' A' ' 168' ' ' ARG . 2.2 tt -75.08 133.86 75.01 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . 0.565 ' O ' HD23 ' A' ' 163' ' ' LEU . 72.7 Cg_endo -76.58 154.51 35.26 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.523 2.148 . . . . 0.0 112.363 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 19.9 mp0 -65.86 -30.17 70.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -67.04 -27.44 67.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.038 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.505 ' O ' HD21 ' A' ' 163' ' ' LEU . 40.4 mt-10 -104.77 28.74 6.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.145 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . 0.583 ' HG2' HD22 ' A' ' 163' ' ' LEU . 19.9 mtm180 -105.91 32.86 4.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.978 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -101.08 88.45 3.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 21.4 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.073 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.522 ' CD1' HD11 ' A' ' 16' ' ' LEU . 4.5 m-85 -139.28 115.06 10.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 0.0 110.847 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.4 m -143.11 169.43 17.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 61.29 31.32 19.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.522 HD11 ' CD1' ' A' ' 13' ' ' PHE . 23.5 mt -112.72 157.23 21.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -158.35 132.52 7.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.1 m 60.35 35.95 20.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.473 ' NE2' HD22 ' A' ' 16' ' ' LEU . 9.7 mt-30 -116.04 169.05 9.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.6 t -129.05 110.98 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.492 HD13 ' CD2' ' A' ' 13' ' ' PHE . 7.0 mt -108.9 142.76 39.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.35 134.28 29.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -126.69 161.19 28.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.684 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -123.7 172.98 8.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.27 -30.57 71.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.138 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.56 -31.75 63.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -74.06 -35.8 64.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.684 HD12 ' O ' ' A' ' 24' ' ' ARG . 1.1 mp -95.19 -70.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 60.61 50.04 6.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.97 89.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 -155.65 170.1 22.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -75.18 133.18 41.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.8 t -128.77 148.06 33.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.188 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.0 tp -142.19 132.59 25.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.521 ' HB2' HD12 ' A' ' 54' ' ' LEU . 1.4 mt -142.57 112.76 7.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.7 t -143.62 169.97 16.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 61.04 39.14 16.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 75.9 mt -107.64 145.54 33.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.1 m -145.58 114.72 7.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 61.62 30.99 18.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.1 t -101.77 134.3 45.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.4 m -102.86 127.72 49.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.59 ' HB ' HD12 ' A' ' 62' ' ' LEU . 21.4 t -132.74 141.21 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.5 mtt-85 -132.57 104.18 6.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.665 HD12 ' HB2' ' A' ' 64' ' ' CYS . 53.5 mt -90.57 125.69 35.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -121.92 109.35 14.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 155.07 -114.68 0.62 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.435 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -175.95 79.1 0.29 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.331 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.49 ' HG3' HD22 ' A' ' 28' ' ' LEU . 45.7 Cg_exo -56.26 -173.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.57 2.18 . . . . 0.0 112.331 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -105.41 -47.26 3.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.34 99.99 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.529 ' HB3' HG22 ' A' ' 71' ' ' VAL . 46.5 tp -77.19 140.68 40.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.14 111.16 5.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.815 HD13 HD22 ' A' ' 62' ' ' LEU . 5.9 tp -116.31 132.24 56.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.8 p -152.79 155.35 36.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.964 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.71 36.87 22.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.52 142.23 34.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -143.74 120.57 11.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.5 m 59.69 29.52 19.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.963 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 59.3 m -105.87 152.75 22.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -117.9 126.96 53.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.836 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.815 HD22 HD13 ' A' ' 54' ' ' LEU . 10.5 tp -125.29 113.31 17.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.8 mt -115.73 104.89 12.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.776 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.665 ' HB2' HD12 ' A' ' 45' ' ' LEU . 51.2 t -131.85 153.56 50.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.038 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.559 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -72.76 -179.83 36.5 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.458 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -56.9 109.78 0.5 Allowed 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.666 2.244 . . . . 0.0 112.086 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.474 HG22 ' N ' ' A' ' 68' ' ' SER . 11.5 p -57.38 158.14 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.186 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.474 ' N ' HG22 ' A' ' 67' ' ' VAL . 42.8 t -63.7 -54.21 39.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -104.78 -76.63 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.67 -179.98 7.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.947 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.529 HG22 ' HB3' ' A' ' 52' ' ' LEU . 21.3 t -124.67 158.66 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.479 ' N ' HG12 ' A' ' 71' ' ' VAL . 12.5 m-85 -132.75 139.89 47.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.463 HD13 HD22 ' A' ' 81' ' ' LEU . 6.9 tp -130.28 143.13 50.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -165.03 140.46 5.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 62.2 39.07 13.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 65.4 m -112.0 132.48 54.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.2 m -141.94 134.0 27.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.961 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 60.68 35.78 19.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.612 ' H ' HG23 ' A' ' 96' ' ' THR . 0.5 OUTLIER -109.67 175.42 5.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.6 t -143.6 89.99 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.123 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.463 HD22 HD13 ' A' ' 73' ' ' LEU . 54.2 tp -88.08 139.22 30.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -141.92 98.69 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 65' ' ' GLY . 11.8 p -165.98 130.62 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.71 144.54 50.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.066 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.48 ' O ' HG12 ' A' ' 102' ' ' VAL . 4.0 p -166.38 142.53 4.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -55.63 -52.29 64.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.83 141.6 51.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.454 HD21 HD11 ' A' ' 90' ' ' ILE . 11.3 tp -121.52 131.42 54.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -118.13 126.21 51.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.686 ' HB ' HG12 ' A' ' 108' ' ' VAL . 22.4 mt -127.19 155.08 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.086 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.432 ' CD2' ' HB2' ' A' ' 109' ' ' GLU . 2.9 t-80 -165.13 134.47 3.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.981 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.5 m 59.71 31.57 20.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.927 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.74 ' O ' HD11 ' A' ' 114' ' ' ILE . 28.2 m -105.68 141.21 37.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.58 139.28 13.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 59.74 31.47 20.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.612 HG23 ' H ' ' A' ' 79' ' ' CYS . 11.8 m -115.57 128.06 55.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 65.9 mtt-85 -83.35 148.47 27.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.859 HG22 HD22 ' A' ' 100' ' ' LEU . 15.4 mt -150.44 115.51 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.159 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -112.95 99.96 8.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.859 HD22 HG22 ' A' ' 98' ' ' ILE . 2.4 pt? -143.34 -179.97 6.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -134.86 99.87 4.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.767 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 141' ' ' ASN . 10.3 m -93.52 136.67 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.29 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 60.4 p -96.78 -33.42 11.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.86 -75.96 0.35 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.504 HH21 HD11 ' A' ' 107' ' ' ILE . 6.4 ptt-85 -177.84 171.17 1.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -125.33 145.18 50.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.971 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.504 HD11 HH21 ' A' ' 105' ' ' ARG . 26.0 mt -121.59 150.44 24.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.243 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.686 HG12 ' HB ' ' A' ' 90' ' ' ILE . 15.5 m -148.25 139.97 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.432 ' HB2' ' CD2' ' A' ' 91' ' ' HIS . 21.7 mt-10 -136.04 129.17 31.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.963 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.17 32.7 22.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 66.1 m -100.48 157.15 16.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 42.4 m -159.94 126.63 4.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.64 36.15 54.22 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.508 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.74 HD11 ' O ' ' A' ' 93' ' ' THR . 28.8 mm -81.95 158.75 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.853 0.359 . . . . 0.0 111.088 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.47 ' N ' HG22 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -118.24 132.67 56.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.607 ' O ' HG23 ' A' ' 162' ' ' ILE . 57.5 m-85 -130.79 100.17 5.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.8 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -127.48 155.1 77.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.406 ' HG3' ' CZ2' ' A' ' 142' ' ' TRP . 52.9 Cg_exo -52.43 175.14 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.568 2.179 . . . . 0.0 112.308 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -84.9 116.83 23.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 58.1 p -104.59 97.27 7.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -176.71 97.08 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.18 159.06 15.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.45 ' CG ' ' HD2' ' A' ' 124' ' ' PRO . 0.0 OUTLIER -179.84 148.9 0.5 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.45 ' HD2' ' CG ' ' A' ' 123' ' ' TYR . 30.4 Cg_endo -63.48 -27.16 70.22 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.529 2.153 . . . . 0.0 112.266 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -110.87 36.36 3.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.832 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.427 HG22 ' O ' ' A' ' 123' ' ' TYR . 3.9 tp -83.42 -35.21 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.81 -32.21 59.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -44.35 90.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.24 -41.82 99.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.415 ' CE2' ' HG3' ' A' ' 137' ' ' ARG . 2.6 m-85 -59.75 -32.41 70.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -71.88 -47.12 55.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.6 m -60.41 -31.39 70.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 5.9 p -76.14 -52.57 9.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 112.69 27.78 3.69 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.466 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 87.3 mt -111.17 161.77 15.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.814 0.34 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -118.01 154.15 32.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . 0.415 ' HG3' ' CE2' ' A' ' 130' ' ' PHE . 14.1 mtp180 -117.36 29.73 7.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.7 t -121.62 25.73 9.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.055 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -120.31 -67.05 1.01 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.822 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 35.6 m120 60.91 112.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.989 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . 0.595 ' O ' HG23 ' A' ' 102' ' ' VAL . 3.7 m120 -146.17 54.1 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.837 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' TRP . . . . . 0.406 ' CZ2' ' HG3' ' A' ' 118' ' ' PRO . 36.9 p-90 -99.48 30.78 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.807 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -119.1 -41.19 2.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.71 129.1 34.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 15.5 m -142.79 176.94 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -125.28 112.87 16.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -72.6 164.32 26.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.956 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 CA--C 1.528 0.12 0 CA-C-O 120.676 0.274 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.61 -7.14 20.6 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.55 2.167 . . . . 0.0 112.729 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -52.89 -30.47 34.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.762 0.315 . . . . 0.0 111.097 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 30.3 p-90 -148.9 129.05 13.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.74 143.42 50.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . 0.607 HG23 ' O ' ' A' ' 116' ' ' PHE . 31.5 mt -92.04 138.23 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 4.9 tp -76.29 134.97 69.86 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.2 177.11 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.465 2.11 . . . . 0.0 112.213 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -98.44 28.71 3.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -115.92 -35.65 4.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -97.49 35.51 1.63 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -89.39 -31.15 17.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -70.04 97.25 1.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 4.1 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.052 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.392 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -102.73 115.6 30.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.3 p -142.27 174.55 10.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 60.53 31.1 20.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.935 HD13 HD11 ' A' ' 21' ' ' LEU . 1.3 mt -113.48 149.47 34.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.2 mp0 -154.26 129.49 9.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.2 m 60.8 38.17 18.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.768 ' NE2' HD23 ' A' ' 16' ' ' LEU . 9.8 mt-30 -119.96 171.44 8.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.6 t -122.1 103.77 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.085 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.935 HD11 HD13 ' A' ' 16' ' ' LEU . 23.1 mt -101.83 142.39 33.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -141.85 147.99 38.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -133.96 176.63 8.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.979 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.23 159.82 42.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.53 ' HB2' ' CA ' ' A' ' 47' ' ' GLY . . . -62.72 -35.32 79.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.7 t -60.33 -33.2 72.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.94 -44.7 10.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.9 mt -67.6 -60.7 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 60.44 45.21 11.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 61.27 80.74 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.2 mtt85 -149.77 158.51 44.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -63.17 148.99 46.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.06 128.32 71.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 tp -116.51 122.66 45.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.421 HD13 HD11 ' A' ' 62' ' ' LEU . 5.4 mt -138.84 111.77 7.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.7 t -150.18 173.86 13.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 60.3 37.48 20.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.955 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.416 HD22 ' HB2' ' A' ' 16' ' ' LEU . 38.1 mt -110.69 149.01 31.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 m -149.53 119.22 7.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 59.45 29.65 19.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.004 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 51.3 t -109.1 149.51 29.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 p -109.91 141.06 43.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.608 ' HB ' HD12 ' A' ' 62' ' ' LEU . 22.0 t -143.37 136.7 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.696 ' HG2' HD12 ' A' ' 63' ' ' LEU . 1.4 mpt_? -138.98 103.72 4.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.2 mt -87.9 140.02 29.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -124.6 135.39 53.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.53 ' CA ' ' HB2' ' A' ' 25' ' ' ALA . . . 129.23 -112.8 1.41 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.457 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -176.5 85.87 0.27 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 120.747 0.308 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.56 171.57 15.08 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.573 2.182 . . . . 0.0 112.308 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -88.01 -48.75 7.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.6 117.71 8.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.683 HD21 ' CD2' ' A' ' 62' ' ' LEU . 32.5 tp -95.17 123.78 38.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.788 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -125.73 126.52 44.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.442 HD22 ' CD1' ' A' ' 81' ' ' LEU . 4.1 tp -132.07 120.99 23.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.821 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.5 p -146.52 157.3 43.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.944 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt 60.25 37.94 20.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.79 140.61 36.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.057 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -141.61 119.69 12.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.6 m 59.32 27.19 16.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.078 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 13.8 m -106.88 159.09 16.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -124.08 149.98 45.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.817 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.683 ' CD2' HD21 ' A' ' 52' ' ' LEU . 4.4 tp -141.72 127.71 19.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.696 HD12 ' HG2' ' A' ' 44' ' ' ARG . 9.5 mt -131.52 99.99 5.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.737 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 53.0 t -124.37 156.26 37.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.07 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.598 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -72.31 -179.73 34.68 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.448 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.405 ' HG3' ' CE1' ' A' ' 130' ' ' PHE . 12.2 Cg_endo -55.76 111.75 0.86 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.643 2.229 . . . . 0.0 112.19 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.484 HG22 ' N ' ' A' ' 68' ' ' SER . 12.1 p -61.69 158.72 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.113 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.484 ' N ' HG22 ' A' ' 67' ' ' VAL . 2.7 t -70.39 -51.89 26.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.32 -76.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.27 178.52 7.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.558 HG21 ' CG1' ' A' ' 83' ' ' VAL . 21.8 t -120.48 141.29 41.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.008 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -117.45 123.85 47.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.978 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.522 HD21 ' HB2' ' A' ' 76' ' ' CYS . 0.7 OUTLIER -122.43 133.81 54.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -155.58 142.76 19.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 61.02 39.8 15.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.946 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.522 ' HB2' HD21 ' A' ' 73' ' ' LEU . 49.4 m -112.02 135.03 53.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.57 138.1 28.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.974 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 59.28 29.27 18.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.582 ' HB2' HG23 ' A' ' 96' ' ' THR . 69.7 m -106.32 157.38 17.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.4 t -125.05 89.94 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.964 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.442 ' CD1' HD22 ' A' ' 54' ' ' LEU . 2.6 tp -83.84 150.18 25.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -152.61 99.1 2.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.093 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 65' ' ' GLY . 11.0 p -169.14 128.96 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.96 141.63 40.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.5 p -153.82 167.15 30.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.15 -31.87 38.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -150.31 130.79 13.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.43 HD23 HD11 ' A' ' 90' ' ' ILE . 34.2 tp -103.54 144.04 31.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.947 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -128.56 104.92 7.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.723 ' HB ' HG12 ' A' ' 108' ' ' VAL . 9.6 mt -109.33 147.64 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.064 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -160.32 130.96 5.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.975 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 m 59.77 31.68 20.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.5 m -101.67 149.09 24.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.25 131.76 5.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 59.2 35.78 23.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.582 HG23 ' HB2' ' A' ' 79' ' ' CYS . 60.4 m -113.36 111.87 22.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -69.91 121.2 16.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.965 HG22 HD22 ' A' ' 100' ' ' LEU . 22.9 mt -125.5 104.3 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -98.51 108.15 20.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.965 HD22 HG22 ' A' ' 98' ' ' ILE . 2.2 pt? -151.97 179.97 8.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.977 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -138.48 90.06 2.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.807 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 16.6 m -80.52 144.31 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 75.6 p -107.68 -29.46 9.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.7 m -93.9 -76.75 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.1 mtt85 -166.33 172.7 10.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.963 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.663 ' HB3' HG12 ' A' ' 145' ' ' VAL . . . -134.69 113.25 11.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.039 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.523 HG23 ' CE1' ' A' ' 148' ' ' PHE . 2.7 mp -81.88 139.04 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.723 HG12 ' HB ' ' A' ' 90' ' ' ILE . 7.0 m -145.33 122.0 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.086 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -125.64 131.99 52.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.85 31.41 21.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 62.5 m -96.16 148.94 22.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.24 134.37 11.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.923 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.41 36.03 92.69 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.559 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 28.1 mm -78.24 138.99 19.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.847 0.356 . . . . 0.0 111.05 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.445 ' NE2' HD13 ' A' ' 163' ' ' LEU . 0.0 OUTLIER -99.84 100.38 11.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.837 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -96.9 133.08 42.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.472 ' HB1' ' HD2' ' A' ' 118' ' ' PRO . . . -156.97 158.45 31.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.472 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 53.9 Cg_endo -69.48 150.79 70.34 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.503 2.135 . . . . 0.0 112.338 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -60.24 148.12 37.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 29.7 m -143.11 91.48 2.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -175.26 98.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.4 m -104.42 146.81 28.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.958 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.44 ' CG ' ' HD2' ' A' ' 124' ' ' PRO . 0.2 OUTLIER -132.5 161.06 65.52 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.757 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' A' ' 123' ' ' TYR . 41.5 Cg_endo -67.59 -26.93 39.4 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.589 2.193 . . . . 0.0 112.211 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -127.29 39.65 3.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.784 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.448 HD11 ' HE1' ' A' ' 130' ' ' PHE . 2.5 tt -83.13 -26.93 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.196 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.56 -30.42 60.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.09 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -78.58 -31.07 47.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.794 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.66 -49.85 67.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.448 ' HE1' HD11 ' A' ' 126' ' ' ILE . 7.0 m-85 -62.77 -32.48 73.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -70.11 -46.03 65.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.2 m -65.64 -35.84 81.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.2 p -76.95 -31.92 56.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.86 28.45 38.06 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.521 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 12.5 mt -79.23 -178.72 6.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.78 0.324 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.65 147.66 43.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -132.56 46.46 2.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.755 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 7.6 t -152.61 -44.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.03 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -50.9 -75.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.168 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 6.6 m120 59.79 109.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -151.9 34.79 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 59.5 p-90 -59.09 -28.66 66.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.032 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -60.06 -32.61 71.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.938 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.94 126.2 33.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.663 HG12 ' HB3' ' A' ' 106' ' ' ALA . 7.2 m -143.93 144.44 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -92.62 119.37 31.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -98.76 120.99 40.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.523 ' CE1' HG23 ' A' ' 107' ' ' ILE . 38.6 m-85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 31.4 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.605 0.241 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -68.67 63.64 1.23 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.517 2.145 . . . . 0.0 112.283 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -100.22 -59.54 1.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 47.5 p-90 -99.52 173.73 6.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.788 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.62 158.81 43.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.949 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 23.0 mt -103.86 152.52 6.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.07 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.682 HD21 ' O ' ' A' ' 167' ' ' GLU . 27.3 tp -87.03 115.59 63.12 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.11 -175.3 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.371 2.047 . . . . 0.0 112.339 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.49 63.04 2.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.813 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -153.37 -44.58 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.682 ' O ' HD21 ' A' ' 163' ' ' LEU . 4.8 mt-10 -98.0 31.03 2.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . 0.67 ' O ' HD12 ' A' ' 170' ' ' ILE . 4.9 mtm180 -88.83 -28.61 20.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.939 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -80.18 107.2 12.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' ILE . . . . . 0.67 HD12 ' O ' ' A' ' 168' ' ' ARG . 3.1 mp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -117.38 150.24 39.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.799 0.333 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 72.1 p -169.44 167.83 9.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.0 m120 60.76 34.12 19.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.648 HD22 ' NE2' ' A' ' 19' ' ' GLN . 25.5 mt -116.33 141.5 48.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -142.01 133.6 26.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.7 m 59.83 31.54 20.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.648 ' NE2' HD22 ' A' ' 16' ' ' LEU . 4.4 mt-30 -108.83 172.16 7.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.05 109.57 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.649 HD12 HG22 ' A' ' 43' ' ' VAL . 16.5 mt -99.58 142.56 30.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -139.49 137.01 35.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.601 ' HD2' HD21 ' A' ' 28' ' ' LEU . 9.6 mttm -140.98 150.68 43.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -121.95 179.98 4.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.62 -35.5 72.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.57 -34.74 67.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.32 -30.71 54.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.601 HD21 ' HD2' ' A' ' 23' ' ' LYS . 61.7 mt -84.0 -59.81 2.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 64.87 31.76 11.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.734 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 62.0 77.62 0.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.948 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.42 177.28 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.93 137.4 36.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.959 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -120.66 106.43 18.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.082 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.0 tp -93.34 124.92 37.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.456 ' HB3' HD11 ' A' ' 38' ' ' LEU . 25.4 mt -136.95 107.68 6.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.0 t -148.35 168.14 23.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.963 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 60.0 39.38 20.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.456 HD11 ' HB3' ' A' ' 35' ' ' LEU . 1.0 OUTLIER -111.04 173.53 6.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.2 m -170.0 113.8 0.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 63.21 35.77 12.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.5 t -109.5 120.17 41.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.29 141.48 30.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.649 HG22 HD12 ' A' ' 21' ' ' LEU . 21.6 t -140.1 126.63 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -128.16 99.94 5.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.483 HD12 ' HB2' ' A' ' 64' ' ' CYS . 11.5 mt -93.61 155.29 17.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -139.75 112.65 8.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 143.82 -132.67 5.01 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.536 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -152.2 86.32 4.46 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 120.7 0.286 . . . . 0.0 110.846 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.02 156.75 61.92 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.577 2.185 . . . . 0.0 112.261 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.81 -67.84 0.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.9 m -136.9 120.45 17.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.787 HD11 HD21 ' A' ' 62' ' ' LEU . 23.4 tp -91.5 130.87 37.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.0 131.16 36.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.498 HD23 HD11 ' A' ' 73' ' ' LEU . 6.8 tp -143.32 113.94 7.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.6 p -137.96 155.41 48.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.27 31.49 19.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.975 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.89 148.75 22.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -142.07 118.17 10.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 75.4 m 59.62 28.45 17.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.975 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 36.1 m -103.04 137.46 41.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -103.8 156.12 18.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.787 HD21 HD11 ' A' ' 52' ' ' LEU . 24.5 tp -154.64 119.01 4.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.944 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.521 HD23 ' HB3' ' A' ' 82' ' ' ALA . 98.2 mt -126.83 99.98 5.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.483 ' HB2' HD12 ' A' ' 45' ' ' LEU . 53.8 t -131.62 156.24 46.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.951 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.9 -179.86 7.6 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.54 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.714 ' HB2' HD12 ' A' ' 135' ' ' LEU . 18.9 Cg_endo -58.1 122.35 11.56 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.641 2.228 . . . . 0.0 112.297 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.488 HG22 ' N ' ' A' ' 68' ' ' SER . 13.5 p -64.78 159.07 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.488 ' N ' HG22 ' A' ' 67' ' ' VAL . 3.5 m -74.04 -51.93 14.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.1 p -100.16 -79.1 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.002 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.2 m -163.89 -179.93 6.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.516 HG22 ' HB3' ' A' ' 52' ' ' LEU . 15.1 t -130.67 142.05 44.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -116.94 164.04 15.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.498 HD11 HD23 ' A' ' 54' ' ' LEU . 2.6 tp -152.02 138.4 18.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.769 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -155.99 135.12 12.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.077 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.25 39.97 18.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.994 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.428 ' HB3' HG21 ' A' ' 96' ' ' THR . 3.8 m -108.65 135.83 49.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.7 t -148.51 137.44 21.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 58.72 29.04 18.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.992 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.407 ' HB2' HG23 ' A' ' 96' ' ' THR . 31.7 m -106.72 150.44 26.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.39 90.07 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.074 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.412 HD13 HD13 ' A' ' 73' ' ' LEU . 4.3 tt -100.96 123.97 45.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.587 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -130.17 110.07 11.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.647 HG11 HD22 ' A' ' 52' ' ' LEU . 3.7 m -160.48 128.93 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.413 ' HB3' ' HB3' ' A' ' 66' ' ' PRO . . . -74.71 133.18 42.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.43 ' HB3' HG12 ' A' ' 67' ' ' VAL . 31.7 p -153.3 165.43 35.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -81.12 -36.43 30.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -133.26 150.51 51.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.833 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.848 HD13 HD13 ' A' ' 100' ' ' LEU . 15.8 tp -125.59 148.65 48.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -140.43 119.19 12.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.613 ' HB ' HG12 ' A' ' 108' ' ' VAL . 27.3 mt -125.76 156.27 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.442 ' N ' HG22 ' A' ' 90' ' ' ILE . 0.8 OUTLIER -166.21 135.52 3.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.4 m 55.21 28.54 11.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.192 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.435 HG23 ' OG1' ' A' ' 96' ' ' THR . 90.2 m -97.14 138.15 35.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.781 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -147.26 128.75 14.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.953 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.06 40.07 22.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.968 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.435 ' OG1' HG23 ' A' ' 93' ' ' THR . 3.3 m -112.15 102.21 10.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.956 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -66.06 127.23 31.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.807 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.814 HG22 HD22 ' A' ' 100' ' ' LEU . 6.5 mt -129.05 124.84 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.154 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.504 ' CG ' ' HB3' ' A' ' 117' ' ' ALA . 12.5 m-85 -113.65 89.95 3.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.71 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.848 HD13 HD13 ' A' ' 88' ' ' LEU . 2.6 pt? -131.1 178.9 6.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.075 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -138.81 89.98 2.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.723 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.462 HG11 ' HB2' ' A' ' 106' ' ' ALA . 15.1 m -74.0 136.12 26.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.174 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 52.8 p -95.35 -31.4 13.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.86 -78.52 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.1 -179.98 8.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.462 ' HB2' HG11 ' A' ' 102' ' ' VAL . . . -141.27 144.91 34.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.999 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.423 ' O ' HG13 ' A' ' 108' ' ' VAL . 23.4 mt -110.88 145.44 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.203 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.613 HG12 ' HB ' ' A' ' 90' ' ' ILE . 4.8 m -155.91 126.97 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -141.01 143.61 34.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 59.9 30.7 20.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 19.6 m -108.47 160.52 15.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.76 124.53 3.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.94 30.64 42.16 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.528 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 26.6 mm -81.97 133.24 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.792 0.329 . . . . 0.0 111.192 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -109.29 116.35 31.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -99.0 107.44 19.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.504 ' HB3' ' CG ' ' A' ' 99' ' ' PHE . . . -110.21 152.11 42.98 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.135 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.72 152.54 58.91 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.655 2.237 . . . . 0.0 112.344 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -94.96 99.97 11.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.803 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 4.3 p -114.94 30.83 7.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.981 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.494 ' CZ2' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -79.43 81.85 5.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.765 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 39.2 m -82.3 162.24 22.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.449 ' CD2' ' HD2' ' A' ' 124' ' ' PRO . 0.2 OUTLIER -151.74 148.73 22.36 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.777 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.449 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 77.0 Cg_exo -50.12 -27.8 18.01 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.55 2.166 . . . . 0.0 112.31 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -135.34 62.25 1.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.686 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -103.88 -21.68 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.36 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -52.98 -30.82 37.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.057 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -77.3 -31.07 54.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.827 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.74 -55.61 21.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -64.81 -41.13 96.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -60.11 -42.4 94.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 73.2 m -60.91 -50.94 71.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 91.9 p -69.05 -40.39 78.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 94.96 30.9 8.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.504 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.714 HD12 ' HB2' ' A' ' 66' ' ' PRO . 30.1 mt -98.99 175.04 6.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -115.16 150.72 35.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.8 -35.47 9.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 9.3 t -69.07 -52.32 29.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 15.5 mmtt -59.81 124.44 20.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.807 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -142.02 139.03 32.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.982 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -135.23 25.71 3.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.0 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 13.6 p-90 -63.85 -29.91 71.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.959 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -62.06 -50.7 70.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -82.68 138.75 34.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 21.5 t -146.41 132.3 13.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.118 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -77.48 138.34 39.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -125.35 169.38 12.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.947 -179.938 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 75.7 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.697 0.284 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.71 62.5 2.3 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.534 2.156 . . . . 0.0 112.327 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -112.49 -43.42 3.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.818 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 57.8 p-90 -109.42 173.48 6.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.73 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -151.01 164.69 35.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 23.8 mt -107.06 125.47 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.031 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.422 HD23 ' CG ' ' A' ' 168' ' ' ARG . 6.6 tp -60.41 135.51 91.57 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.15 -169.81 0.43 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.503 2.135 . . . . 0.0 112.261 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -91.46 -31.62 15.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -65.97 -30.65 71.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -90.38 -28.13 18.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.013 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . 0.422 ' CG ' HD23 ' A' ' 163' ' ' LEU . 0.6 OUTLIER -56.96 -30.77 64.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.959 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -71.23 87.25 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 5.9 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.053 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -143.74 142.77 31.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.886 0.374 . . . . 0.0 110.821 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.6 p -166.19 170.28 13.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 61.73 33.04 18.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.71 HD13 HD21 ' A' ' 21' ' ' LEU . 13.4 mt -114.13 156.82 23.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -153.6 137.97 16.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.06 36.78 21.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -130.17 170.83 13.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.57 120.19 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.71 HD21 HD13 ' A' ' 16' ' ' LEU . 10.8 mt -100.61 151.08 22.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -144.25 149.4 36.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.472 ' HB2' HD22 ' A' ' 45' ' ' LEU . 12.5 mttp -154.29 161.7 41.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -135.68 176.49 8.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.07 -31.0 71.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.143 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -68.79 -33.68 74.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -85.74 -39.37 17.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.542 HD13 ' HG3' ' A' ' 49' ' ' PRO . 25.5 mt -74.61 -66.18 0.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.956 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 60.57 42.67 13.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 61.85 74.66 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.93 176.99 8.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -92.77 122.27 35.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.691 ' HB ' HD12 ' A' ' 52' ' ' LEU . 21.6 t -93.71 119.01 40.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.8 tp -116.88 104.66 11.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.406 HD12 HD11 ' A' ' 62' ' ' LEU . 55.7 mt -122.38 110.42 15.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.2 t -141.45 169.29 17.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 60.31 39.71 18.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.43 HD23 ' HB2' ' A' ' 16' ' ' LEU . 1.3 mt -118.35 149.19 41.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 m -146.81 121.41 9.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.836 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 60.64 34.46 20.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.7 t -112.95 118.1 33.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.9 m -75.81 140.34 42.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.733 ' HB ' HD12 ' A' ' 62' ' ' LEU . 21.5 t -131.59 122.47 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -127.11 99.99 5.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.472 HD22 ' HB2' ' A' ' 23' ' ' LYS . 46.8 mt -99.09 162.79 12.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -145.64 140.14 27.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.82 -138.54 11.84 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -147.33 79.15 9.87 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.683 0.278 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.542 ' HG3' HD13 ' A' ' 28' ' ' LEU . 50.1 Cg_exo -53.66 -179.66 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.59 2.194 . . . . 0.0 112.294 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -100.67 -46.54 5.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -155.31 99.96 2.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.691 HD12 ' HB ' ' A' ' 33' ' ' VAL . 13.2 tp -71.66 144.12 49.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -148.46 134.97 19.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.58 HD22 ' CD1' ' A' ' 81' ' ' LEU . 4.3 tp -142.06 123.02 14.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.0 p -145.85 158.57 43.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm 59.77 30.85 20.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.86 161.39 13.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.057 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -165.68 121.79 1.35 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.6 m 60.27 31.36 20.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.988 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 34.1 m -111.4 149.36 31.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -113.3 124.28 52.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.733 HD12 ' HB ' ' A' ' 43' ' ' VAL . 6.8 tp -114.3 126.56 55.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.539 HD23 ' HB3' ' A' ' 82' ' ' ALA . 2.4 mt -134.95 103.64 5.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 52.7 t -134.9 156.26 49.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.006 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.401 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -65.57 -179.84 9.02 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.414 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -60.69 121.73 10.17 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.607 2.205 . . . . 0.0 112.237 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.633 HG12 ' HB3' ' A' ' 85' ' ' CYS . 11.2 p -70.54 158.56 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.487 ' N ' HG22 ' A' ' 67' ' ' VAL . 0.9 OUTLIER -63.28 -54.73 32.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 p -106.57 -75.25 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.2 m -161.97 -179.97 7.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.88 HG21 HG11 ' A' ' 83' ' ' VAL . 21.7 t -115.68 157.45 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.464 ' N ' HG12 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -120.35 139.53 52.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.602 HD23 HG23 ' A' ' 90' ' ' ILE . 2.8 tp -138.68 123.97 19.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -149.28 138.67 21.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 61.9 37.37 15.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 28.8 m -106.52 140.3 39.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.0 t -152.59 134.67 14.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.973 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 60.49 38.12 19.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 42.1 m -116.5 167.47 11.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 20.3 t -132.66 90.72 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.054 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.58 ' CD1' HD22 ' A' ' 54' ' ' LEU . 1.0 OUTLIER -86.58 123.89 32.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.539 ' HB3' HD23 ' A' ' 63' ' ' LEU . . . -127.13 98.38 5.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.88 HG11 HG21 ' A' ' 71' ' ' VAL . 11.7 p -157.86 124.64 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.95 147.18 43.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.633 ' HB3' HG12 ' A' ' 67' ' ' VAL . 23.0 p -169.38 -179.94 3.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.476 ' HG3' HD21 ' A' ' 135' ' ' LEU . 36.1 mt-30 -94.81 -31.7 13.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.15 161.63 36.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.826 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.536 HD22 HD11 ' A' ' 100' ' ' LEU . 20.7 tp -143.01 151.0 40.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.41 ' HD2' ' CE1' ' A' ' 72' ' ' PHE . 3.5 mtt180 -140.59 122.8 15.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.602 HG23 HD23 ' A' ' 73' ' ' LEU . 4.7 mt -127.57 158.31 39.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.03 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.488 ' N ' HG22 ' A' ' 90' ' ' ILE . 58.9 t-80 -168.61 138.92 2.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 59.32 30.41 20.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.557 ' O ' HD11 ' A' ' 114' ' ' ILE . 49.0 m -104.95 135.11 46.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.4 ttpp -143.12 131.21 21.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.2 t0 59.84 39.4 20.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 23.2 m -111.05 142.05 43.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.5 mtm-85 -99.91 136.64 39.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.026 HG22 HD22 ' A' ' 100' ' ' LEU . 19.9 mt -137.94 108.95 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.066 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -106.87 95.8 5.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.935 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 1.026 HD22 HG22 ' A' ' 98' ' ' ILE . 2.3 pt? -141.43 170.78 15.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -123.34 90.0 3.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.849 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 8.7 m -76.83 120.78 27.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.178 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 28.3 p -77.57 -31.24 52.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.2 m -101.7 -75.25 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.2 165.38 2.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -110.0 179.26 4.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 23.9 mt -148.64 139.15 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.4 m -137.7 146.52 27.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -149.18 129.27 13.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.44 33.13 20.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 70.9 m -102.35 170.13 8.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -170.0 122.29 0.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.65 32.93 39.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.518 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.557 HD11 ' O ' ' A' ' 93' ' ' THR . 27.0 mm -79.84 153.71 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.819 0.342 . . . . 0.0 111.072 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.438 ' CD ' HD12 ' A' ' 163' ' ' LEU . 3.3 mm100 -120.84 115.08 22.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -102.71 123.79 47.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.471 ' HB1' ' HD2' ' A' ' 118' ' ' PRO . . . -142.08 158.61 61.3 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.031 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.471 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 55.6 Cg_endo -70.09 164.19 35.78 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.616 2.211 . . . . 0.0 112.295 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -68.16 147.73 51.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 21.9 p -148.48 90.93 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -175.66 117.81 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.403 ' O ' ' CG ' ' A' ' 123' ' ' TYR . 3.7 m -130.86 177.29 7.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.022 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.403 ' CG ' ' O ' ' A' ' 122' ' ' SER . 3.6 m-85 -170.92 165.33 4.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.811 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -47.5 -45.82 22.07 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.676 2.25 . . . . 0.0 112.451 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -118.55 72.84 0.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.855 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 8.5 tp -93.1 -29.54 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.146 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.07 -40.46 85.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -31.96 69.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.59 -65.52 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.434 ' CD2' ' HD2' ' A' ' 137' ' ' ARG . 76.5 m-85 -59.21 -33.03 70.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -71.37 -34.95 70.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.3 m -69.15 -31.4 70.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 45.5 p -84.63 -45.38 12.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 108.49 31.71 3.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.476 HD21 ' HG3' ' A' ' 86' ' ' GLN . 5.7 mt -100.21 170.61 8.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 0.0 110.918 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.92 146.52 46.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . 0.434 ' HD2' ' CD2' ' A' ' 130' ' ' PHE . 9.0 mtp180 -115.15 31.35 6.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 14.0 m -127.09 19.59 7.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -146.8 101.05 3.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.25 142.36 32.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.985 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -155.37 39.58 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' TRP . . . . . 0.475 ' CZ3' HG23 ' A' ' 162' ' ' ILE . 33.9 p-90 -66.85 -32.49 73.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -63.89 -47.02 82.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.26 119.61 8.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.957 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 6.2 m -152.24 148.22 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -97.78 169.94 9.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -137.64 163.39 31.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.963 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.53 0.206 0 CA-C-O 120.529 0.204 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.41 -15.79 47.56 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.483 2.122 . . . . 0.0 112.504 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -50.06 -45.4 52.36 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.264 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -124.45 169.54 11.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.049 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 1.6 p -145.88 179.97 7.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . 0.475 HG23 ' CZ3' ' A' ' 142' ' ' TRP . 24.3 mt -113.41 138.29 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.438 HD12 ' CD ' ' A' ' 115' ' ' GLN . 3.4 tp -68.03 128.56 93.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.25 171.43 0.39 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.461 2.108 . . . . 0.0 112.249 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -101.52 28.03 5.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -119.74 -37.81 3.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -96.39 37.89 1.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.974 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.38 -38.12 16.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -90.02 88.52 7.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.807 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 2.6 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.266 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -132.52 148.25 52.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.818 0.342 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.3 m -164.5 169.89 16.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 29.4 m120 60.75 39.9 16.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.607 HD22 ' NE2' ' A' ' 19' ' ' GLN . 69.1 mt -125.09 151.77 45.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -149.1 127.23 12.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.71 34.13 20.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.607 ' NE2' HD22 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -108.2 174.91 5.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.915 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.3 t -127.07 126.19 67.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.052 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.703 HD12 HG22 ' A' ' 43' ' ' VAL . 13.5 mt -120.21 142.93 48.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -142.71 140.85 31.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -141.22 146.72 37.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.641 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -115.25 178.79 4.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.77 -31.37 72.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.3 -34.26 67.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -76.76 -46.49 24.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.702 HD23 ' HD2' ' A' ' 31' ' ' ARG . 1.1 mt -72.15 -73.76 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.2 t60 61.29 51.72 4.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.416 ' HA ' ' HA ' ' A' ' 49' ' ' PRO . 42.3 mt-30 59.63 74.12 0.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.979 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.702 ' HD2' HD23 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -132.52 167.23 20.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.884 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.58 103.12 15.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.851 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.599 HG22 HH11 ' A' ' 31' ' ' ARG . 16.9 t -76.94 120.25 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.2 tp -111.91 134.44 53.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.543 ' HB2' HD12 ' A' ' 54' ' ' LEU . 14.0 mt -141.67 113.97 8.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.1 t -145.97 162.57 37.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 60.04 33.21 21.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.455 HD12 ' HB3' ' A' ' 35' ' ' LEU . 40.5 mt -110.77 141.52 43.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.3 m -150.68 123.61 8.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 60.52 37.35 19.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 49.1 t -117.2 141.85 47.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.0 m -94.47 131.52 40.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.703 HG22 HD12 ' A' ' 21' ' ' LEU . 25.6 t -127.27 128.21 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.75 ' O ' HD23 ' A' ' 45' ' ' LEU . 18.6 mtp85 -128.26 144.32 51.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.751 HD12 ' HB2' ' A' ' 64' ' ' CYS . 30.0 mt -142.53 150.68 40.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -143.71 102.12 3.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 163.21 -132.78 2.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.445 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -160.73 83.66 1.99 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.714 0.292 . . . . 0.0 110.844 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.519 ' HB3' HD22 ' A' ' 28' ' ' LEU . 58.6 Cg_endo -71.89 175.08 10.22 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.57 2.18 . . . . 0.0 112.304 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.75 -67.64 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.55 123.37 33.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.626 HD23 HG11 ' A' ' 83' ' ' VAL . 34.5 tp -99.14 131.83 44.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -143.21 137.17 28.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.958 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.543 HD12 ' HB2' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -139.37 118.01 12.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.6 p -136.37 159.66 41.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.028 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.65 37.51 25.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.014 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -108.48 135.14 50.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.131 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -135.79 121.4 19.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.3 m 60.7 27.93 17.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.963 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 61.0 m -103.16 169.25 8.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -135.63 146.09 47.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.508 HD13 ' CD1' ' A' ' 35' ' ' LEU . 10.5 tp -142.87 117.15 9.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.012 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.1 mt -120.54 101.27 7.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.797 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.751 ' HB2' HD12 ' A' ' 45' ' ' LEU . 38.4 t -129.84 157.13 43.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.026 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.629 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -66.9 -179.8 11.96 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.444 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.43 ' HG3' ' CD1' ' A' ' 130' ' ' PHE . 18.4 Cg_endo -58.93 117.52 4.25 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.583 2.189 . . . . 0.0 112.247 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.497 HG22 ' N ' ' A' ' 68' ' ' SER . 12.8 p -58.66 158.89 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.2 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.497 ' N ' HG22 ' A' ' 67' ' ' VAL . 23.1 t -70.93 -52.17 21.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.904 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.42 -77.93 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.081 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.56 -179.94 8.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.983 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.472 HG21 ' CG1' ' A' ' 83' ' ' VAL . 15.0 t -124.77 159.8 30.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.085 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.471 ' N ' HG12 ' A' ' 71' ' ' VAL . 37.4 m-85 -130.73 156.44 44.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.511 HD21 HG21 ' A' ' 96' ' ' THR . 2.2 tp -154.8 109.53 3.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -139.86 143.43 36.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.047 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.96 34.73 13.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 85.8 m -113.18 153.34 28.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.8 m -162.69 139.33 7.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.63 29.21 18.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 56.3 m -105.55 163.78 12.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -130.99 90.07 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.05 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.405 HD21 HG11 ' A' ' 71' ' ' VAL . 3.8 tp -83.11 143.58 30.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -139.65 98.28 3.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 65' ' ' GLY . 10.3 p -167.72 136.89 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.32 142.36 27.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.03 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.405 ' SG ' HD12 ' A' ' 100' ' ' LEU . 27.6 p -154.84 -179.89 8.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.952 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -95.76 -34.14 12.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -139.58 133.15 30.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.847 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.716 HD13 HD13 ' A' ' 100' ' ' LEU . 16.1 tp -115.45 133.73 55.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.969 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.49 121.03 32.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.435 HD12 HG12 ' A' ' 108' ' ' VAL . 18.3 mt -120.42 153.74 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.051 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.438 ' CD2' ' HB3' ' A' ' 109' ' ' GLU . 19.1 m80 -159.96 130.38 5.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.1 m 58.25 32.23 21.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.109 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.587 ' O ' HD11 ' A' ' 114' ' ' ILE . 12.6 m -107.43 143.3 35.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.824 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.01 143.54 19.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.7 t70 59.1 38.32 23.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.511 HG21 HD21 ' A' ' 73' ' ' LEU . 45.3 m -121.09 114.15 21.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 27.5 mtt85 -80.98 111.6 17.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.945 HG22 HD22 ' A' ' 100' ' ' LEU . 26.2 mt -111.03 115.49 50.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.251 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.732 ' CD2' ' HB3' ' A' ' 117' ' ' ALA . 13.4 m-85 -107.13 95.05 5.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.79 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.945 HD22 HG22 ' A' ' 98' ' ' ILE . 2.4 pt? -134.81 175.82 9.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -126.66 90.07 3.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.1 m -80.51 131.56 33.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.159 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 9.5 p -98.31 -30.71 12.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.03 -70.17 0.7 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.21 174.39 1.04 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -131.38 153.65 49.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.069 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 20.5 mt -131.3 146.8 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.178 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.435 HG12 HD12 ' A' ' 90' ' ' ILE . 5.5 m -144.73 116.15 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.103 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.438 ' HB3' ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -115.98 125.29 52.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 59.9 35.21 21.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 59.9 m -105.63 152.99 22.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.955 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 40.0 m -159.27 130.64 6.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.0 34.51 30.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.538 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.587 HD11 ' O ' ' A' ' 93' ' ' THR . 26.5 mm -93.21 156.87 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.796 0.332 . . . . 0.0 111.03 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.447 ' N ' HG22 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -123.9 136.29 54.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -125.98 111.96 15.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.845 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.732 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . . . -131.66 153.85 81.64 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.76 169.73 0.53 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.524 2.15 . . . . 0.0 112.257 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.668 ' O ' HG23 ' A' ' 120' ' ' THR . 75.3 t80 -98.9 144.29 28.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.668 HG23 ' O ' ' A' ' 119' ' ' TYR . 1.2 p -165.67 118.87 1.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.585 ' O ' HD12 ' A' ' 126' ' ' ILE . 0.5 OUTLIER -175.19 139.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.87 -170.14 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.445 ' O ' HG22 ' A' ' 126' ' ' ILE . 0.1 OUTLIER 178.05 -52.95 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.953 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.416 ' HD3' ' CB ' ' A' ' 123' ' ' TYR . 47.8 Cg_exo -56.13 -26.68 61.42 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.371 2.047 . . . . 0.0 112.421 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -138.38 48.19 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.142 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.585 HD12 ' O ' ' A' ' 121' ' ' TRP . 18.1 tt -110.14 -32.05 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.072 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -58.58 -51.67 68.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.84 -31.08 71.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.41 -47.51 83.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.43 ' CD1' ' HG3' ' A' ' 66' ' ' PRO . 7.2 m-85 -67.99 -32.61 73.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.97 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -66.04 -35.11 79.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -46.79 88.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.7 p -81.2 -36.26 30.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 99.79 28.13 7.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.501 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 96.2 mt -89.41 161.06 16.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.03 144.95 39.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 63.1 mtm180 -98.24 29.06 3.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.5 m -121.93 -41.78 2.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.26 141.67 41.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.99 124.2 5.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.823 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.95 40.99 3.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 43.4 p-90 -69.03 -28.58 66.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.961 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -64.13 -45.69 87.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -67.38 132.55 47.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 21.4 t -146.8 140.18 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -95.91 111.27 23.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -92.41 162.0 14.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.939 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.584 0.23 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.47 94.02 0.37 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.445 2.097 . . . . 0.0 112.359 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -162.14 -62.95 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.584 ' HZ3' HD11 ' A' ' 162' ' ' ILE . 35.0 p-90 -96.87 151.09 20.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 45.0 t -140.24 178.76 7.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . 0.584 HD11 ' HZ3' ' A' ' 160' ' ' TRP . 34.7 mm -112.2 158.55 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.48 ' N ' HG22 ' A' ' 162' ' ' ILE . 6.2 tp -102.97 125.07 36.39 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.16 154.89 16.89 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.406 2.07 . . . . 0.0 112.341 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.69 -31.49 70.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -76.41 -22.55 54.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.414 ' O ' HD21 ' A' ' 163' ' ' LEU . 5.1 mt-10 -95.91 29.74 2.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 111.064 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 26.5 mtp180 -107.92 29.31 7.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.021 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -113.29 102.12 10.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 2.1 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.154 -179.946 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.28 -63.43 1.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.825 0.345 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.86 170.67 15.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.65 -67.53 0.45 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.54 105.31 11.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.87 0.367 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.3 p -168.55 126.06 1.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.74 154.08 0.12 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.471 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.35 151.05 28.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.823 0.344 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -97.69 149.17 22.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 10' ' ' VAL . 11.1 p -124.93 112.28 31.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -149.55 157.79 43.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.02 -149.12 6.47 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.533 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.505 ' CD2' HD13 ' A' ' 21' ' ' LEU . 24.4 m-85 -143.77 122.45 12.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.866 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.7 p -146.16 174.64 11.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.1 m120 61.09 39.98 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 mt -126.9 153.73 45.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -147.14 129.26 15.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.96 37.05 21.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -114.74 165.14 13.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.4 t -124.2 136.69 59.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.712 HD12 HG22 ' A' ' 43' ' ' VAL . 13.7 mt -131.39 150.14 52.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -150.53 117.73 5.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.442 ' HD2' HD21 ' A' ' 28' ' ' LEU . 14.0 mttt -118.74 143.48 46.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.15 179.93 4.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.03 -43.72 91.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.036 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 m -62.2 -33.64 74.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -72.63 -59.35 2.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.442 HD21 ' HD2' ' A' ' 23' ' ' LYS . 5.4 mt -63.07 -66.66 0.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.846 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 59.7 52.54 5.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 60.61 81.29 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -144.47 158.48 43.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -82.23 122.61 28.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.824 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.669 ' HB ' HD12 ' A' ' 52' ' ' LEU . 21.5 t -95.87 125.84 48.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.13 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 tp -113.27 112.95 24.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.622 ' HB2' HD12 ' A' ' 54' ' ' LEU . 14.6 mt -127.48 105.28 8.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.3 t -145.4 164.31 31.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 59.87 31.38 20.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.0 mt -105.88 170.86 7.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 m -169.95 123.27 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 61.3 30.31 19.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.803 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.4 t -107.79 125.55 51.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.99 130.86 44.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.712 HG22 HD12 ' A' ' 21' ' ' LEU . 21.6 t -131.06 115.34 29.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -107.49 101.74 11.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.959 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.792 HD12 ' HB2' ' A' ' 64' ' ' CYS . 14.4 mt -92.9 160.11 15.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -156.32 107.91 2.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 159.63 -120.1 0.94 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.555 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -169.21 82.3 0.67 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.721 0.296 . . . . 0.0 110.94 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.54 168.36 22.81 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.57 2.18 . . . . 0.0 112.277 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -77.56 -59.48 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.8 m -143.59 121.4 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.669 HD12 ' HB ' ' A' ' 33' ' ' VAL . 7.4 tp -92.83 145.54 24.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -145.97 124.24 12.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.946 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.622 HD12 ' HB2' ' A' ' 35' ' ' LEU . 6.7 tp -134.07 106.12 7.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.6 p -131.27 157.78 42.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 60.0 35.84 21.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.93 156.97 16.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.065 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -160.41 119.39 2.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 61.6 m 60.8 32.9 20.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 29.6 m -112.62 157.44 21.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.978 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -123.35 135.98 54.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.656 HD21 HD21 ' A' ' 52' ' ' LEU . 15.3 tp -128.97 125.4 37.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.953 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.495 HD23 ' HB3' ' A' ' 82' ' ' ALA . 2.0 mt -133.6 110.12 9.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.792 ' HB2' HD12 ' A' ' 45' ' ' LEU . 44.5 t -144.73 152.3 40.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.011 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.2 -179.86 2.24 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.449 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.537 ' HB2' HD12 ' A' ' 135' ' ' LEU . 18.5 Cg_endo -59.98 114.77 2.23 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.562 2.175 . . . . 0.0 112.153 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.479 HG22 ' N ' ' A' ' 68' ' ' SER . 11.5 p -57.59 158.48 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.479 ' N ' HG22 ' A' ' 67' ' ' VAL . 26.3 t -72.38 -51.7 19.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 p -102.71 -79.04 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.963 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -163.97 179.92 6.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.826 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.564 HG22 ' HB3' ' A' ' 52' ' ' LEU . 21.4 t -126.47 158.99 36.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.008 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.484 ' N ' HG12 ' A' ' 71' ' ' VAL . 39.8 m-85 -128.01 151.47 49.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.966 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.58 HD11 HD23 ' A' ' 54' ' ' LEU . 2.0 tp -145.2 130.25 18.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 62.5 tt0 -157.53 141.13 15.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 61.67 36.65 16.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 92.8 m -111.33 143.5 42.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.7 t -153.25 134.98 14.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 60.95 37.98 17.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.018 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.612 ' HB2' HG23 ' A' ' 96' ' ' THR . 59.7 m -117.28 165.94 12.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.23 100.19 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.17 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.509 ' HB3' HG23 ' A' ' 98' ' ' ILE . 1.5 tp -95.94 116.05 28.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.495 ' HB3' HD23 ' A' ' 63' ' ' LEU . . . -117.83 97.38 5.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.456 HG13 ' O ' ' A' ' 83' ' ' VAL . 11.2 p -165.45 122.12 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.33 138.74 40.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 13.2 p -151.02 176.29 11.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -85.92 -31.09 22.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -147.98 135.21 20.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.473 HD23 ' HE1' ' A' ' 116' ' ' PHE . 26.8 tp -116.48 125.35 51.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -115.29 118.57 33.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 91' ' ' HIS . 3.5 mt -120.96 158.45 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.486 ' N ' HG22 ' A' ' 90' ' ' ILE . 17.5 t-80 -168.3 133.62 1.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.78 35.2 19.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 63.6 m -107.92 149.15 28.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.4 pttt -157.57 134.43 10.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.949 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 59.01 31.11 21.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.612 HG23 ' HB2' ' A' ' 79' ' ' CYS . 5.8 m -111.62 101.65 10.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -67.6 136.49 54.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.725 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.808 HG22 HD22 ' A' ' 100' ' ' LEU . 18.5 mt -136.04 102.53 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.738 ' CD2' ' HB3' ' A' ' 117' ' ' ALA . 45.4 m-85 -97.08 107.42 19.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.808 HD22 HG22 ' A' ' 98' ' ' ILE . 2.4 pt? -151.2 -179.98 7.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -128.41 91.78 3.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 10.0 m -76.66 124.7 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.173 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.1 p -83.21 -33.01 26.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.39 -74.26 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.533 ' NE ' HD11 ' A' ' 107' ' ' ILE . 0.0 OUTLIER -177.03 171.76 2.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.817 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -121.19 154.9 35.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.087 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.533 HD11 ' NE ' ' A' ' 105' ' ' ARG . 27.7 mm -124.46 137.83 55.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 146' ' ' ASP . 9.4 m -135.83 143.39 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.412 ' HB3' ' CD2' ' A' ' 91' ' ' HIS . 8.2 tt0 -150.43 127.02 10.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.937 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.13 37.23 20.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 60.3 m -115.86 150.58 36.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.0 m -148.0 132.16 17.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.2 29.07 51.85 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.462 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 23.7 mm -82.51 153.43 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.733 0.301 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.554 ' NE2' HD13 ' A' ' 163' ' ' LEU . 10.5 mt-30 -128.64 136.39 50.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.473 ' HE1' HD23 ' A' ' 88' ' ' LEU . 76.5 m-85 -125.61 105.89 9.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.738 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . . . -121.53 149.4 52.53 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.171 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.03 164.35 1.71 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.59 2.194 . . . . 0.0 112.327 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -86.57 106.56 17.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.822 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.4 t -120.65 106.78 12.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.43 ' CZ2' ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -158.64 124.94 4.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 35.6 m -104.97 154.44 20.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.454 ' CG ' ' HD2' ' A' ' 124' ' ' PRO . 0.3 OUTLIER -176.97 151.8 0.98 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.454 ' HD2' ' CG ' ' A' ' 123' ' ' TYR . 66.2 Cg_exo -51.27 -26.87 21.47 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.624 2.216 . . . . 0.0 112.362 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -131.84 53.13 2.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 4.3 tp -95.97 -39.35 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.083 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.53 -38.95 71.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -68.76 -29.97 68.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -59.09 -44.87 91.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -61.66 -31.11 71.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -63.5 -34.35 77.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.0 m -60.19 -69.92 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -31.11 69.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.953 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 86.75 28.17 27.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.561 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.537 HD12 ' HB2' ' A' ' 66' ' ' PRO . 46.8 mt -84.11 157.79 21.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.787 0.327 . . . . 0.0 110.889 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.36 132.2 35.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 5.8 ttt-85 -97.97 33.99 2.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.94 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 23.1 t -143.89 -70.28 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -63.44 123.55 19.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -163.11 127.21 2.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.01 74.98 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' TRP . . . . . 0.661 ' CZ3' HD12 ' A' ' 162' ' ' ILE . 43.3 p-90 -84.43 -29.18 26.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -68.3 -31.88 71.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.792 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.88 119.94 31.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 146' ' ' ASP . 21.5 t -141.27 155.98 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.181 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . 0.468 ' O ' HG22 ' A' ' 108' ' ' VAL . 0.5 OUTLIER -99.18 130.4 45.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.964 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -109.02 163.58 13.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -151.18 65.16 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -173.4 83.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -128.31 124.5 36.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.0 -67.14 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.956 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -114.35 96.56 5.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.079 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -176.85 -58.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 61.22 38.05 16.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 16.1 tpp -152.84 -69.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -153.42 143.33 22.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 21.4 m -77.64 111.44 17.56 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -72.68 61.7 3.68 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.362 2.042 . . . . 0.0 112.348 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -107.62 -58.66 1.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.977 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 34.8 p-90 -103.87 154.83 19.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 42.6 t -148.27 178.84 8.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . 0.661 HD12 ' CZ3' ' A' ' 142' ' ' TRP . 27.4 mm -115.55 152.89 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.554 HD13 ' NE2' ' A' ' 115' ' ' GLN . 10.3 tp -96.93 138.42 21.31 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . 0.468 ' HD2' HD12 ' A' ' 163' ' ' LEU . 48.7 Cg_endo -68.94 179.87 2.99 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.481 2.121 . . . . 0.0 112.264 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -96.38 41.82 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -122.6 -42.17 2.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -102.65 29.72 5.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.006 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . 0.456 ' HD2' HD23 ' A' ' 163' ' ' LEU . 40.2 mmm-85 -78.39 -31.54 48.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -95.88 109.81 22.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.816 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 3.8 mt -102.99 126.28 57.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.69 94.83 2.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' TRP . . . . . . . . . . . . . 40.4 m95 -77.01 -31.68 56.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.943 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -69.34 109.66 4.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.05 -44.6 60.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 159.99 -71.14 0.23 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.494 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.17 -37.46 8.17 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.523 2.149 . . . . 0.0 112.368 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 25.7 p -83.97 128.04 34.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.3 t -96.1 -47.13 6.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 CA-C-O 118.359 -1.245 . . . . 0.0 112.562 179.952 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.7 t -176.6 -40.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.897 0.379 . . . . 0.0 110.935 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m 60.64 -179.04 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.69 -112.18 0.89 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.547 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t -70.34 -56.44 6.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.25 -170.27 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.32 -119.38 18.3 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.442 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m 62.12 120.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.358 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -70.62 85.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.0 m -98.92 31.01 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.4 p -151.79 122.78 7.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -91.31 -141.15 9.43 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.505 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -109.75 134.97 51.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.351 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 72.2 m -154.11 172.22 17.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 60.99 34.77 19.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 mp -118.94 145.11 46.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -138.34 132.65 31.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.3 t 60.07 35.95 21.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -119.12 172.33 7.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.3 t -130.37 139.78 50.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.097 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.578 HD12 HG22 ' A' ' 43' ' ' VAL . 7.6 mt -130.44 142.83 50.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -146.09 151.89 38.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -147.05 148.7 31.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.3 tpp180 -105.32 174.7 5.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.69 -52.97 54.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 m -61.91 -32.92 73.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -66.24 -41.08 90.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.2 mt -86.08 -71.97 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 62.85 61.32 1.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.835 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 60.73 79.34 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -142.97 157.4 44.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -85.44 136.03 33.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -117.06 125.23 73.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.2 tp -115.36 124.04 50.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.537 HD22 HG21 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -135.03 111.74 10.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.98 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 t -147.03 166.22 27.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 59.99 38.91 20.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.0 mt -114.55 145.7 41.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -140.37 122.39 15.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 61.41 36.44 17.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.781 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.3 t -109.58 158.42 18.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.5 p -122.15 143.96 49.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.745 ' HB ' HD12 ' A' ' 62' ' ' LEU . 20.7 t -140.42 134.28 34.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.123 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 45.6 mtp180 -142.95 106.64 4.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.0 mt -97.31 159.92 14.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.81 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -142.07 127.12 18.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 129.84 -117.79 2.43 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.547 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -160.13 88.42 1.87 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.769 0.318 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -69.17 161.41 45.97 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.527 2.151 . . . . 0.0 112.298 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -76.6 -68.8 0.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.953 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.6 m -140.21 111.67 7.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.869 HD21 HD21 ' A' ' 62' ' ' LEU . 54.8 tp -77.3 153.04 34.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -153.3 114.26 4.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.552 HD23 HD11 ' A' ' 73' ' ' LEU . 6.6 tp -129.36 109.48 11.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.9 p -133.39 154.99 50.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.7 mttm 60.61 32.7 20.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.948 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.01 139.55 30.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.054 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 42.1 t-80 -141.03 120.41 13.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.6 m 58.87 30.06 19.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.037 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 67.1 m -106.74 155.82 19.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -119.78 143.59 47.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.869 HD21 HD21 ' A' ' 52' ' ' LEU . 3.5 tp -148.21 117.5 6.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.588 HD21 ' CH2' ' A' ' 172' ' ' TRP . 1.9 mp -133.47 112.29 11.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 5.9 p -139.76 170.24 16.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.949 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.438 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -69.61 -179.9 24.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.428 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.405 ' HG3' ' CD1' ' A' ' 130' ' ' PHE . 27.5 Cg_endo -62.43 128.22 23.05 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.521 2.147 . . . . 0.0 112.25 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.507 HG12 ' HB3' ' A' ' 85' ' ' CYS . 12.9 p -69.57 154.51 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.187 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.402 ' N ' HG22 ' A' ' 67' ' ' VAL . 0.6 OUTLIER -67.22 -49.27 65.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.967 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.57 -79.62 0.56 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.977 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 52.1 m -161.31 -179.99 7.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.08 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.532 HG13 ' HB3' ' A' ' 52' ' ' LEU . 21.4 t -124.52 159.27 30.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.125 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.489 ' N ' HG12 ' A' ' 71' ' ' VAL . 67.9 t80 -127.83 159.49 34.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.962 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.552 HD11 HD23 ' A' ' 54' ' ' LEU . 2.9 tp -154.41 134.52 13.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -158.39 140.44 13.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.18 31.94 20.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.93 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.531 ' O ' HG23 ' A' ' 93' ' ' THR . 1.8 m -98.78 145.33 27.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 t -158.28 133.48 8.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 59.83 31.87 21.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.1 t -107.73 166.93 10.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -134.13 90.05 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.959 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.738 HD21 HG12 ' A' ' 83' ' ' VAL . 6.3 tt -93.75 114.77 27.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.954 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -116.14 97.28 5.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.738 HG12 HD21 ' A' ' 81' ' ' LEU . 11.9 p -156.33 126.51 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.07 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.35 139.87 41.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.507 ' HB3' HG12 ' A' ' 67' ' ' VAL . 30.7 p -158.93 171.91 19.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -82.13 -47.49 12.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.768 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -127.99 150.63 49.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.82 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.836 HD22 HD11 ' A' ' 100' ' ' LEU . 23.6 tp -126.09 143.27 51.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.95 112.6 12.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.601 HD11 ' CD2' ' A' ' 88' ' ' LEU . 4.3 mt -127.17 142.6 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -155.92 141.66 17.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.03 30.63 20.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.966 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 76' ' ' CYS . 17.7 m -107.98 147.77 30.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.827 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -157.9 142.2 16.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.39 30.33 18.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.6 m -112.15 122.36 47.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.983 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 53.1 mtt180 -94.1 111.26 22.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.818 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.986 HG22 HD22 ' A' ' 100' ' ' LEU . 28.4 mt -106.42 127.67 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.73 ' CD2' ' HB3' ' A' ' 117' ' ' ALA . 65.0 m-85 -118.46 97.41 5.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.986 HD22 HG22 ' A' ' 98' ' ' ILE . 2.2 pt? -143.31 171.39 14.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -121.86 100.25 6.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 141' ' ' ASN . 15.8 m -86.5 122.83 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.174 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 16.1 p -97.02 21.94 9.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.1 m -150.49 -71.22 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.82 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.3 ptt85 -178.11 168.97 1.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -131.84 147.01 52.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.092 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 31.2 mt -112.95 143.03 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.075 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 31.5 m -147.94 147.35 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -151.9 130.34 12.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 59.94 34.8 21.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 72.0 m -105.3 145.05 31.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.6 m -153.83 134.88 13.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.59 28.24 57.71 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.45 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.407 HG22 ' N ' ' A' ' 115' ' ' GLN . 25.6 mm -92.8 154.5 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.822 0.344 . . . . 0.0 111.109 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.407 ' N ' HG22 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -128.1 119.76 26.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -109.15 118.01 35.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.73 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . . . -130.05 163.63 46.18 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.074 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.639 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 55.3 Cg_endo -69.85 148.08 63.73 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.546 2.164 . . . . 0.0 112.315 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -68.61 131.82 45.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 32.6 p -141.14 106.29 4.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.657 ' O ' HD13 ' A' ' 126' ' ' ILE . 0.0 OUTLIER -152.43 86.76 1.29 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.76 117.12 14.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.974 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.411 ' O ' HG22 ' A' ' 126' ' ' ILE . 1.4 t80 -155.54 141.72 13.03 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.48 -33.57 68.1 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.548 2.166 . . . . 0.0 112.322 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 40.0 mp0 -98.92 46.78 0.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.938 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.657 HD13 ' O ' ' A' ' 121' ' ' TRP . 1.2 tp -99.87 -41.21 9.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.432 ' N ' HG23 ' A' ' 126' ' ' ILE . 0.3 OUTLIER -68.18 -25.25 65.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.061 179.876 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.1 mtmt -77.16 -31.18 55.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -76.38 -35.71 58.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.405 ' CD1' ' HG3' ' A' ' 66' ' ' PRO . 26.0 m-85 -80.92 -41.78 22.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.978 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -31.39 70.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.956 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.3 m -71.94 -38.09 69.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 89.9 p -71.87 -49.16 40.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 110.39 28.36 4.09 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.506 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 8.6 mt -93.16 154.91 17.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.348 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.74 126.84 50.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -98.87 31.17 3.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.22 30.76 5.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -129.52 -70.49 0.65 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 60.21 89.8 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.725 ' O ' HG23 ' A' ' 102' ' ' VAL . 1.4 m-20 -134.05 83.15 2.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 49.4 p-90 -107.07 -28.63 9.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -57.72 -31.23 66.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.972 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -75.4 108.39 8.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 28.1 t -125.72 147.37 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.83 134.68 47.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -126.43 157.48 38.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -98.59 29.48 3.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -143.98 31.35 1.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -62.54 116.99 5.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 2.2 mt -128.03 32.73 4.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 156' ' ' ALA . . . -101.55 167.6 10.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 8.0 mmp_? -81.59 -31.5 32.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -142.78 -49.59 0.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 1.9 ptp -165.51 99.21 0.7 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.688 ' O ' ' HB2' ' A' ' 152' ' ' ALA . . . -171.43 132.06 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.173 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.54 86.34 6.86 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.27 83.38 0.99 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.536 2.157 . . . . 0.0 112.289 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -156.46 -55.2 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 41.7 p-90 -107.92 133.46 52.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.26 158.23 19.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 21.5 mt -98.39 141.65 15.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.773 HD21 ' O ' ' A' ' 167' ' ' GLU . 12.8 tp -66.58 136.86 94.94 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -73.47 -167.68 0.39 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.449 2.099 . . . . 0.0 112.264 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -97.91 29.32 3.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -123.05 -40.91 2.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.773 ' O ' HD21 ' A' ' 163' ' ' LEU . 2.9 mm-40 -97.27 28.97 3.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.073 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -86.24 -34.71 20.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.919 0.39 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -78.54 93.08 4.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' ILE . . . . . 0.401 ' HB ' ' CZ2' ' A' ' 172' ' ' TRP . 2.5 mt -82.49 138.46 19.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.082 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -85.77 126.29 33.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' TRP . . . . . 0.588 ' CH2' HD21 ' A' ' 63' ' ' LEU . 48.7 m95 -110.83 31.74 5.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -134.11 -56.14 0.86 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 1.3 m 60.43 102.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.956 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 150.01 -65.39 0.38 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.451 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.04 140.49 41.74 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.595 2.197 . . . . 0.0 112.298 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 52.5 m -127.93 90.74 3.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 38.7 t -135.85 158.92 43.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.398 -1.223 . . . . 0.0 112.55 179.969 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.1 m -152.05 154.75 36.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.754 0.312 . . . . 0.0 110.954 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.53 147.81 52.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.23 -116.54 4.22 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 p -142.89 81.89 1.74 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.812 0.339 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 p 58.65 167.68 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.82 -75.11 0.36 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 t -123.19 175.91 6.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.751 0.31 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -60.91 -64.96 0.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.1 t 63.96 89.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.082 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -116.89 151.65 36.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.3 -170.37 40.21 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.474 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -144.18 143.95 31.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.808 0.337 . . . . 0.0 110.834 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 65.5 p -164.28 169.72 17.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.954 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 60.52 39.16 18.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.0 mt -128.51 143.33 50.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.971 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -145.33 139.74 27.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.947 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.5 t 60.09 38.04 20.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -122.81 169.03 11.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.527 HG12 ' OE2' ' A' ' 22' ' ' GLU . 28.8 t -123.49 108.63 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.596 HD12 HG22 ' A' ' 43' ' ' VAL . 14.9 mt -96.67 147.1 24.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.527 ' OE2' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -154.96 130.44 9.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -130.23 150.08 51.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 mtm-85 -110.87 174.2 5.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.45 -43.41 96.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 m -61.71 -32.21 72.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -74.39 -39.49 62.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.473 HD12 ' O ' ' A' ' 46' ' ' TYR . 40.9 mt -72.07 -63.77 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 60.21 37.09 20.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 60.62 92.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.7 mtt180 -154.97 -178.16 7.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -99.52 121.07 40.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.53 ' HB ' HD12 ' A' ' 52' ' ' LEU . 21.5 t -95.96 127.37 48.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.422 HD12 ' HD3' ' A' ' 53' ' ' ARG . 1.6 tp -125.14 105.26 9.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.85 ' HB2' HD12 ' A' ' 54' ' ' LEU . 1.7 mt -113.72 129.21 56.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.9 t -151.62 165.18 35.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 61.09 37.28 17.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.532 HD11 ' HB3' ' A' ' 35' ' ' LEU . 85.3 mt -103.83 145.84 29.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.4 117.78 5.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 60.81 36.06 19.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 12.7 t -116.99 143.08 46.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.08 150.24 25.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.596 HG22 HD12 ' A' ' 21' ' ' LEU . 21.4 t -144.84 142.26 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.8 mtt-85 -142.48 105.67 4.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.642 HD12 ' HB3' ' A' ' 64' ' ' CYS . 7.6 mt -98.05 153.76 18.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.473 ' O ' HD12 ' A' ' 28' ' ' LEU . 87.1 m-85 -141.8 140.73 33.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 128.37 -112.94 1.51 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.513 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -171.27 82.75 0.5 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.667 0.27 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.6 154.21 68.65 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.56 2.173 . . . . 0.0 112.282 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.42 -51.76 12.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -149.82 127.81 11.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.53 HD12 ' HB ' ' A' ' 33' ' ' VAL . 26.1 tp -93.37 149.29 21.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.422 ' HD3' HD12 ' A' ' 34' ' ' LEU . 13.8 ttt85 -150.77 105.95 3.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.942 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 1.055 HD13 HD22 ' A' ' 62' ' ' LEU . 2.3 tp -122.13 131.79 54.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.796 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.2 p -146.68 164.88 31.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.068 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.8 mtmm 53.86 35.15 20.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.072 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.541 ' HB1' ' SG ' ' A' ' 79' ' ' CYS . . . -90.78 128.34 36.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.075 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -132.87 111.7 11.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.5 m 60.48 32.09 20.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 61.4 m -106.22 172.01 7.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -134.26 135.82 43.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 1.055 HD22 HD13 ' A' ' 54' ' ' LEU . 15.0 tp -133.45 109.16 9.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.713 HD23 ' HB3' ' A' ' 82' ' ' ALA . 6.9 mt -121.9 104.33 9.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.805 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.642 ' HB3' HD12 ' A' ' 45' ' ' LEU . 7.6 p -131.23 164.13 26.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.011 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.9 -179.94 12.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.463 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.609 ' HB2' HD12 ' A' ' 135' ' ' LEU . 36.3 Cg_endo -65.28 115.69 3.47 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.628 2.219 . . . . 0.0 112.284 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.486 HG22 ' N ' ' A' ' 68' ' ' SER . 11.4 p -61.27 158.67 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.182 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.486 ' N ' HG22 ' A' ' 67' ' ' VAL . 11.7 t -71.37 -52.43 18.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.52 -80.54 0.47 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.6 m -165.03 179.92 6.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.861 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.873 HG21 HG11 ' A' ' 83' ' ' VAL . 21.7 t -116.62 159.01 16.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.018 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.486 ' N ' HG12 ' A' ' 71' ' ' VAL . 45.6 m-85 -139.35 104.49 4.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.985 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.722 HD11 HD23 ' A' ' 54' ' ' LEU . 5.4 tp -100.7 132.49 46.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.74 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -149.72 142.42 24.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.15 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 63.24 32.76 14.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.611 ' O ' HG23 ' A' ' 93' ' ' THR . 17.7 m -107.01 134.96 49.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 p -142.5 132.84 24.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.013 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 59.74 39.11 21.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.541 ' SG ' ' HB1' ' A' ' 57' ' ' ALA . 3.9 t -117.51 162.94 17.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.22 93.12 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.697 ' CD1' HD23 ' A' ' 62' ' ' LEU . 11.5 tp -90.96 130.03 36.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.713 ' HB3' HD23 ' A' ' 63' ' ' LEU . . . -131.02 107.72 9.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.973 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.873 HG11 HG21 ' A' ' 71' ' ' VAL . 10.7 p -164.34 122.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.51 126.16 29.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.433 ' SG ' HD12 ' A' ' 100' ' ' LEU . 15.0 p -146.1 171.54 14.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -82.02 -31.1 31.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -146.25 163.39 35.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.422 ' CD2' HD11 ' A' ' 90' ' ' ILE . 32.2 tp -143.52 124.8 14.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 38.5 ttt-85 -122.63 101.99 7.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.987 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 91' ' ' HIS . 2.6 mp -96.33 159.26 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.486 ' N ' HG22 ' A' ' 90' ' ' ILE . 21.1 t-160 -161.36 133.36 5.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.967 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.8 m 60.01 35.16 21.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.042 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.611 HG23 ' O ' ' A' ' 76' ' ' CYS . 67.8 m -112.45 140.8 46.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.27 135.52 22.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.001 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 54.73 39.98 31.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.4 HG21 HD21 ' A' ' 73' ' ' LEU . 24.9 m -114.4 115.32 27.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.081 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.4 mtt85 -75.69 137.04 40.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.731 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.633 HG22 HD22 ' A' ' 100' ' ' LEU . 16.4 mt -140.84 108.85 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.19 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.45 ' CZ ' HD11 ' A' ' 170' ' ' ILE . 48.7 m-85 -102.25 101.19 11.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.633 HD22 HG22 ' A' ' 98' ' ' ILE . 2.1 pt? -138.74 165.91 25.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.968 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -113.55 89.94 3.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.706 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.4 m -80.71 120.67 32.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 82.7 p -87.75 -30.34 20.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.34 -72.37 0.63 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.818 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -178.58 162.03 1.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -115.2 152.62 32.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.039 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.4 HG22 ' N ' ' A' ' 108' ' ' VAL . 4.6 mt -126.66 153.38 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 146' ' ' ASP . 6.8 m -142.54 120.17 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.023 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.52 120.8 36.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.99 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.97 30.93 20.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.974 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 14.4 m -100.61 162.71 12.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.11 123.53 1.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.979 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.12 28.14 50.42 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.565 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 26.1 mm -81.68 127.93 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.748 0.309 . . . . 0.0 111.099 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.2 115.85 24.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.048 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -103.78 124.74 49.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -153.0 154.26 30.8 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.073 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.2 -174.69 0.44 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.553 2.168 . . . . 0.0 112.257 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.442 ' CZ ' ' HB3' ' A' ' 121' ' ' TRP . 11.2 t80 -101.41 124.95 47.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 3.4 t -109.8 -26.17 9.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.081 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.489 ' CD1' HD22 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -55.17 153.56 6.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.051 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.534 ' HA ' HD13 ' A' ' 126' ' ' ILE . 1.2 m -175.86 172.06 2.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -168.8 162.99 8.06 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.821 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -50.43 -31.4 30.43 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.557 2.171 . . . . 0.0 112.362 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -104.43 53.25 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.534 HD13 ' HA ' ' A' ' 122' ' ' SER . 1.0 OUTLIER -104.87 -33.96 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.037 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.11 -31.85 72.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -77.32 -30.81 54.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -72.18 -38.94 68.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.524 ' HE1' HD11 ' A' ' 126' ' ' ILE . 17.1 m-85 -76.73 -41.0 46.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -68.94 -33.58 73.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.2 m -69.94 -37.58 75.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.96 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 53.4 p -84.03 -31.49 25.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.01 30.56 7.4 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.458 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.609 HD12 ' HB2' ' A' ' 66' ' ' PRO . 75.6 mt -107.39 -176.81 3.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.807 0.337 . . . . 0.0 110.872 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.67 160.83 37.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -100.43 -31.96 11.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.52 -55.43 6.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 4.4 mttp -64.51 121.03 13.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -173.09 143.21 1.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -142.5 78.87 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 64.5 p-90 -75.42 -28.62 59.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -57.75 -31.21 66.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -71.87 120.4 17.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.994 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 21.5 t -144.61 146.82 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . 0.502 ' O ' HG22 ' A' ' 108' ' ' VAL . 1.4 t70 -130.78 140.72 50.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.42 119.5 37.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -73.22 -34.52 65.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -76.75 -31.37 57.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.948 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 49.2 t-105 -122.81 122.06 37.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 8.5 tt -85.48 111.51 20.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -74.06 136.31 43.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.07 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -162.6 -46.57 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -132.74 -47.66 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 1.7 mtp -94.72 162.78 13.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.953 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -80.53 179.79 7.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.089 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 1.1 m -100.58 101.18 14.3 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.03 63.0 2.52 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.509 2.139 . . . . 0.0 112.326 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -149.05 -70.15 0.21 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 66.4 p-90 -93.74 158.9 15.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 4.1 m -143.32 156.92 44.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 32.2 mt -94.16 146.03 7.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.044 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.646 HD21 ' O ' ' A' ' 167' ' ' GLU . 13.8 tp -75.83 127.17 86.06 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.848 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.34 -167.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.41 2.073 . . . . 0.0 112.325 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -105.03 33.39 3.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -123.16 -43.59 2.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.646 ' O ' HD21 ' A' ' 163' ' ' LEU . 70.2 mt-10 -98.47 29.86 3.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.977 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.79 -31.32 45.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.935 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -80.6 126.88 31.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' ILE . . . . . 0.45 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 20.7 mt -111.86 146.93 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.039 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.64 105.46 7.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' TRP . . . . . . . . . . . . . 54.5 m95 -112.3 -53.76 2.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 14.5 p30 -156.5 158.14 36.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 11.5 t -150.11 -73.02 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -93.0 -176.04 40.95 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.55 -45.99 1.48 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.615 2.21 . . . . 0.0 112.305 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.96 31.7 6.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 14.0 p -155.74 86.05 1.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.314 -1.27 . . . . 0.0 112.484 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.179 0 N-CA-C 112.536 -0.225 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.2 t -101.64 -40.2 7.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 110.959 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 t 60.39 100.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.31 -146.32 4.49 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.442 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 t 60.35 175.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.0 110.868 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.8 p -72.57 88.95 1.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.65 130.79 50.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.546 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m -111.92 155.41 23.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.359 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.424 ' CD2' ' O ' ' A' ' 9' ' ' TRP . 36.6 p-90 -68.52 84.95 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.967 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.0 m -141.29 30.98 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.104 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.6 m -86.92 -53.5 4.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.963 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.96 -110.35 3.17 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.419 ' CE2' ' HE2' ' A' ' 23' ' ' LYS . 4.5 m-85 -146.2 129.12 16.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 0.0 110.927 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.412 ' HA ' HD21 ' A' ' 38' ' ' LEU . 23.4 p -158.68 177.71 10.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 60.35 35.85 20.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.453 HD23 ' NE2' ' A' ' 19' ' ' GLN . 1.0 OUTLIER -135.25 146.77 48.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -150.87 147.36 27.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.7 p 58.71 32.69 22.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.453 ' NE2' HD23 ' A' ' 16' ' ' LEU . 9.1 mt-30 -125.05 174.41 8.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.8 t -128.03 114.4 34.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.7 mt -108.84 141.72 40.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.5 145.94 49.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.956 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.533 ' HB2' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -143.18 158.5 43.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.788 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.44 175.35 9.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.28 -31.07 72.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.032 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.55 -34.01 64.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.813 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -80.32 -36.0 34.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.42 HD13 ' HG3' ' A' ' 49' ' ' PRO . 6.4 mt -77.58 -50.3 12.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 59.58 31.6 21.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 60.0 71.2 0.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -127.12 -176.89 3.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -91.45 100.07 12.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.812 ' HB ' HD12 ' A' ' 52' ' ' LEU . 26.9 t -65.94 110.74 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.047 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.7 tp -109.74 115.84 30.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.969 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.503 ' HB3' HD11 ' A' ' 38' ' ' LEU . 6.3 mt -135.19 133.56 39.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.6 t -162.11 166.74 25.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 62.13 40.04 12.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.503 HD11 ' HB3' ' A' ' 35' ' ' LEU . 18.2 mt -110.15 163.3 13.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.983 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.7 m -158.69 111.28 2.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 60.84 31.35 20.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.8 t -101.23 103.49 14.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.53 144.8 55.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.784 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.632 ' HB ' HD12 ' A' ' 62' ' ' LEU . 21.5 t -131.58 157.36 43.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.453 ' N ' HG12 ' A' ' 43' ' ' VAL . 12.8 mtt180 -155.57 100.09 2.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.54 HD12 ' HB2' ' A' ' 64' ' ' CYS . 11.3 mt -102.72 158.27 16.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -147.62 100.18 3.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 165.41 -138.82 5.45 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -148.22 67.65 9.97 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.773 0.321 . . . . 0.0 110.968 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.42 ' HG3' HD13 ' A' ' 28' ' ' LEU . 50.5 Cg_exo -53.28 146.47 40.03 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.579 2.186 . . . . 0.0 112.25 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -62.61 -56.87 13.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.406 HG23 ' OG1' ' A' ' 69' ' ' THR . 0.1 OUTLIER -136.39 151.16 49.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.812 HD12 ' HB ' ' A' ' 33' ' ' VAL . 7.4 tp -123.98 140.4 53.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -152.39 116.04 4.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.483 HD12 ' HB2' ' A' ' 35' ' ' LEU . 2.0 tp -127.34 128.67 46.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.807 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.0 p -149.17 160.11 43.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.4 mttm 59.62 37.45 22.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -107.49 144.1 34.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.001 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -138.41 121.68 17.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.3 m 59.53 27.24 16.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 59.0 m -95.55 146.69 24.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -118.03 111.12 18.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.632 HD12 ' HB ' ' A' ' 43' ' ' VAL . 5.2 tp -112.05 128.21 56.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.599 HD23 ' HB3' ' A' ' 82' ' ' ALA . 6.6 mt -137.74 111.29 8.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.54 ' HB2' HD12 ' A' ' 45' ' ' LEU . 51.6 t -141.25 156.29 45.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.59 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -58.81 -179.91 1.3 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.516 ' HB3' ' HB3' ' A' ' 84' ' ' ALA . 28.8 Cg_endo -62.97 119.37 6.41 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.613 2.208 . . . . 0.0 112.209 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.647 HG12 ' O ' ' A' ' 84' ' ' ALA . 11.9 p -58.59 158.44 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.07 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.481 ' N ' HG22 ' A' ' 67' ' ' VAL . 3.4 t -69.12 -52.32 29.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.971 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.406 ' OG1' HG23 ' A' ' 51' ' ' THR . 0.6 OUTLIER -105.12 -77.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.994 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.46 179.98 7.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.0 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.726 HG21 HG11 ' A' ' 83' ' ' VAL . 24.4 t -123.2 158.8 27.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.49 ' N ' HG12 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -132.89 118.56 19.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.6 tp -113.78 136.97 52.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -160.87 142.16 11.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 62.9 32.49 15.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 10.0 m -103.0 138.53 39.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.4 t -147.8 130.53 16.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 60.33 34.13 20.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.606 ' HB2' HG23 ' A' ' 96' ' ' THR . 14.5 m -107.7 165.86 11.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -134.13 90.21 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 tp -86.85 151.19 23.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.599 ' HB3' HD23 ' A' ' 63' ' ' LEU . . . -149.19 97.25 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.726 HG11 HG21 ' A' ' 71' ' ' VAL . 12.4 p -162.71 128.6 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.088 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.647 ' O ' HG12 ' A' ' 67' ' ' VAL . . . -76.25 154.46 35.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.068 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.452 ' SG ' HD12 ' A' ' 100' ' ' LEU . 30.7 p -169.93 -179.95 3.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -104.39 -31.54 9.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -137.64 121.17 17.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.952 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.461 HD22 HD11 ' A' ' 100' ' ' LEU . 32.6 tp -115.17 138.18 51.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.13 117.04 19.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.673 HD12 HG12 ' A' ' 108' ' ' VAL . 4.3 mt -114.33 147.26 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.053 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -153.13 131.62 12.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.026 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 63.4 m 59.33 37.09 23.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.996 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.614 ' O ' HD11 ' A' ' 114' ' ' ILE . 51.6 m -110.42 134.02 52.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.797 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -148.08 140.47 24.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.32 30.74 20.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.606 HG23 ' HB2' ' A' ' 79' ' ' CYS . 7.0 m -113.16 130.08 56.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.979 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -93.36 140.32 29.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.697 HG22 HD22 ' A' ' 100' ' ' LEU . 29.5 mt -139.3 126.57 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.157 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.513 ' CZ ' HD22 ' A' ' 163' ' ' LEU . 9.7 m-85 -116.51 109.06 16.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.697 HD22 HG22 ' A' ' 98' ' ' ILE . 2.1 pt? -152.41 176.06 12.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -127.63 90.09 3.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 8.8 m -81.9 121.38 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 70.1 p -90.59 -33.77 15.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.56 -74.86 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -176.61 176.05 1.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -142.22 157.73 44.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 22.3 mt -123.83 148.77 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.673 HG12 HD12 ' A' ' 90' ' ' ILE . 5.2 m -149.79 109.65 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.088 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -122.41 138.26 54.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.804 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 60.18 30.88 20.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.416 ' SG ' HG22 ' A' ' 90' ' ' ILE . 96.9 m -110.76 152.93 26.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 m -157.75 128.8 6.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.1 28.05 50.81 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.557 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.614 HD11 ' O ' ' A' ' 93' ' ' THR . 26.7 mm -82.24 148.1 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.819 0.343 . . . . 0.0 111.085 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -112.82 129.34 56.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -122.74 122.22 38.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.594 ' HB1' ' HD2' ' A' ' 118' ' ' PRO . . . -140.02 162.17 51.82 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.061 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.594 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 51.8 Cg_endo -69.24 168.53 20.61 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.558 2.172 . . . . 0.0 112.343 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -112.96 127.1 56.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.27 31.33 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -84.24 178.43 7.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.748 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.787 ' HB2' HD13 ' A' ' 126' ' ' ILE . 3.8 m 61.23 -177.54 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.841 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.442 ' N ' ' HD2' ' A' ' 124' ' ' PRO . 0.3 OUTLIER -177.52 -62.38 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.01 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.442 ' HD2' ' N ' ' A' ' 123' ' ' TYR . 19.3 Cg_endo -58.84 -23.18 66.01 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.491 2.128 . . . . 0.0 112.292 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -146.95 53.32 1.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.787 HD13 ' HB2' ' A' ' 122' ' ' SER . 9.1 tp -110.02 -34.97 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.061 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.422 ' OD1' HG23 ' A' ' 126' ' ' ILE . 1.2 m-20 -74.23 -38.99 63.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.908 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -73.68 -38.31 64.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.93 -34.99 79.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.23 -32.2 73.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -88.71 -31.6 18.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.17 -47.48 20.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 78.9 p -59.37 -38.18 79.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 112.26 30.59 2.87 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.436 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 24.5 mt -108.49 171.48 7.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.88 137.53 52.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 51.5 mtp85 -87.9 -31.43 19.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.49 -56.88 3.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -60.19 132.14 52.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -148.05 122.21 9.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -150.19 86.02 1.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 33.8 p-90 -110.35 -29.29 8.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.956 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.32 -31.05 67.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.07 104.95 13.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.64 127.55 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -77.25 100.67 5.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -95.22 136.29 35.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -99.11 39.71 1.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 -165.38 105.64 0.75 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -111.75 115.28 28.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.59 150.43 20.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -92.74 48.39 1.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 6.7 mtt85 -77.14 -59.61 2.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -130.23 -53.42 1.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 29.8 ttm -176.76 -40.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -92.57 -169.86 2.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.13 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 20.0 m -114.41 87.54 14.02 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.44 62.79 2.83 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.545 2.164 . . . . 0.0 112.322 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -107.79 -32.57 7.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 24.6 p-90 -117.78 112.27 20.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.58 170.88 15.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 33.3 mt -124.54 131.6 72.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.513 HD22 ' CZ ' ' A' ' 99' ' ' PHE . 5.5 tp -61.65 131.85 92.93 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.755 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -67.82 167.9 20.08 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.529 2.153 . . . . 0.0 112.279 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -93.14 47.58 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -141.11 -46.19 0.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -97.02 33.05 1.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -67.59 -47.81 68.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.815 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -69.33 120.41 15.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.78 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 19.3 mt -108.71 152.44 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.143 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.54 114.56 3.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' TRP . . . . . . . . . . . . . 31.1 m95 -102.74 -63.39 1.17 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.66 -73.69 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 26.2 t -156.29 128.12 7.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -77.94 -150.05 4.28 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -51.89 -55.04 4.29 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.559 2.173 . . . . 0.0 112.331 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.37 167.94 15.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 66.0 p -170.57 -60.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.945 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.534 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 N-CA-C 112.546 -0.222 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.49 150.79 51.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.867 0.365 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -102.32 89.3 3.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.72 -152.98 6.2 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.485 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 m -125.31 166.05 17.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.4 p -117.5 31.82 6.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.843 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.72 -99.73 0.19 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.455 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.9 p -77.19 165.3 24.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.808 0.337 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 9.6 m0 -119.09 116.5 26.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.4 t -131.4 129.2 62.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.172 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -176.21 102.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.5 -154.35 21.73 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.526 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.534 ' HB3' HD11 ' A' ' 16' ' ' LEU . 26.1 m-85 -130.83 150.44 52.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 0.0 110.894 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 90.3 p -164.14 176.81 8.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 60.36 32.65 20.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.534 HD11 ' HB3' ' A' ' 13' ' ' PHE . 11.4 mt -114.98 142.15 47.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.81 130.74 20.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m 61.84 31.73 18.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -115.39 161.4 18.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.0 t -125.67 121.89 61.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.048 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 mt -113.05 170.34 8.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -153.49 139.1 17.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.8 mttt -138.27 157.52 46.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.2 mtm-85 -127.5 179.84 5.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.82 -42.33 77.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.106 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.6 t -67.74 -30.76 70.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.09 -45.47 70.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.945 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.5 mt -77.87 -79.96 0.11 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 61.67 69.99 0.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.936 0.398 . . . . 0.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 57.69 74.06 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -134.98 165.6 24.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -103.92 101.8 11.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.823 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.549 HG12 HD11 ' A' ' 35' ' ' LEU . 25.9 t -86.76 114.64 26.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.3 tp -119.19 111.31 18.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.606 ' HB3' HD11 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -116.79 136.01 53.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.8 t -161.8 167.44 24.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.986 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 60.05 39.55 19.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.606 HD11 ' HB3' ' A' ' 35' ' ' LEU . 1.5 mt -111.49 154.54 24.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.1 115.1 6.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 60.96 30.67 19.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.935 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.6 t -100.73 131.18 46.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.6 m -91.53 134.15 34.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.512 ' HB ' HD12 ' A' ' 62' ' ' LEU . 21.5 t -134.08 130.05 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.149 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -136.3 134.82 38.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.966 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.675 HD12 ' HB3' ' A' ' 64' ' ' CYS . 8.9 mt -130.33 156.67 44.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -144.29 104.61 4.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 157.41 -137.2 5.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.486 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -150.18 83.36 6.1 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.726 0.298 . . . . 0.0 110.909 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.29 173.37 11.54 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.626 2.217 . . . . 0.0 112.281 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -76.92 -63.3 1.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.841 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.3 m -138.37 148.23 44.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.565 ' HB3' HG13 ' A' ' 71' ' ' VAL . 16.3 tp -119.04 143.65 46.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -154.17 139.01 17.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.563 HD12 ' HB2' ' A' ' 35' ' ' LEU . 5.3 tp -147.69 131.46 16.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.789 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.0 p -148.53 158.84 44.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.04 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.1 mttt 59.64 31.26 20.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -101.78 124.91 48.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.056 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -126.55 125.71 42.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.012 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.7 m 58.49 30.92 20.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.971 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 35.1 m -108.54 150.68 27.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -111.66 140.95 45.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.546 HD21 HD21 ' A' ' 52' ' ' LEU . 10.9 tp -135.0 128.42 32.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.953 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.537 HD23 ' HB3' ' A' ' 82' ' ' ALA . 6.1 mt -139.68 123.85 17.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.675 ' HB3' HD12 ' A' ' 45' ' ' LEU . 29.1 p -157.54 162.54 38.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -70.08 -179.93 26.63 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.476 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.425 ' HG3' ' CD1' ' A' ' 130' ' ' PHE . 26.0 Cg_endo -61.91 127.71 22.18 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.59 2.193 . . . . 0.0 112.216 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.48 HG22 ' N ' ' A' ' 68' ' ' SER . 12.1 p -69.7 158.6 5.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.167 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.48 ' N ' HG22 ' A' ' 67' ' ' VAL . 1.4 m -68.5 -53.77 21.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.969 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.8 p -102.16 -76.2 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -163.25 179.99 7.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.015 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.729 HG21 HG11 ' A' ' 83' ' ' VAL . 21.5 t -119.86 159.06 21.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.487 ' N ' HG12 ' A' ' 71' ' ' VAL . 28.0 m-85 -131.73 128.9 39.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.606 HD13 HD13 ' A' ' 81' ' ' LEU . 2.7 tp -126.4 134.4 51.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.754 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -157.41 139.03 13.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.948 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.83 39.99 10.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.029 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.3 m -105.97 135.0 48.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.84 128.96 16.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 60.69 36.35 19.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.516 ' H ' HG23 ' A' ' 96' ' ' THR . 0.5 OUTLIER -109.34 174.32 5.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.811 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.36 89.96 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.606 HD13 HD13 ' A' ' 73' ' ' LEU . 0.9 OUTLIER -84.49 138.68 32.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.537 ' HB3' HD23 ' A' ' 63' ' ' LEU . . . -139.34 99.78 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.729 HG11 HG21 ' A' ' 71' ' ' VAL . 10.8 p -163.62 153.31 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.081 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -105.65 130.3 53.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 9.4 p -144.27 179.98 6.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.958 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -100.78 -31.27 11.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.964 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -143.59 99.92 3.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.677 HD22 ' CD1' ' A' ' 100' ' ' LEU . 47.8 tp -78.68 158.3 28.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -146.2 105.32 3.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.956 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.71 ' HB ' HG12 ' A' ' 108' ' ' VAL . 18.2 mt -109.82 158.61 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.463 ' N ' HG22 ' A' ' 90' ' ' ILE . 50.2 t-80 -167.54 142.91 3.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.119 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.4 m 51.07 28.69 4.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.214 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.432 ' O ' HD11 ' A' ' 114' ' ' ILE . 28.8 m -100.12 139.35 35.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.7 pttp -151.06 130.76 13.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.975 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.31 39.96 21.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.032 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.516 HG23 ' H ' ' A' ' 79' ' ' CYS . 34.6 m -121.0 112.39 18.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -64.73 139.48 58.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.798 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.597 HG22 HD22 ' A' ' 100' ' ' LEU . 27.8 mt -140.83 123.68 15.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.196 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -120.38 100.32 7.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.791 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.677 ' CD1' HD22 ' A' ' 88' ' ' LEU . 1.9 pt? -137.7 171.62 14.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.054 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -128.7 89.9 2.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.819 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.8 m -81.53 134.2 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 10.6 p -100.8 -30.78 11.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.62 -65.51 0.97 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -177.62 177.64 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -129.47 164.23 24.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.055 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 32.8 mt -142.14 138.97 30.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.71 HG12 ' HB ' ' A' ' 90' ' ' ILE . 30.3 m -148.69 129.18 4.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.046 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.429 ' HB3' ' CD2' ' A' ' 91' ' ' HIS . 0.2 OUTLIER -126.21 129.44 48.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.04 30.93 18.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 13.7 m -107.5 141.19 39.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.51 136.88 23.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.07 27.74 63.7 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.571 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.435 ' CG2' HD12 ' A' ' 98' ' ' ILE . 29.7 mm -82.48 114.7 23.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.841 0.353 . . . . 0.0 111.054 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.403 HE21 HD13 ' A' ' 163' ' ' LEU . 0.2 OUTLIER -80.93 104.37 11.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.967 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.439 ' HZ ' HG11 ' A' ' 108' ' ' VAL . 81.9 m-85 -90.53 136.66 32.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.505 ' HB1' ' HD2' ' A' ' 118' ' ' PRO . . . -155.15 159.8 31.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.99 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.505 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 55.7 Cg_endo -70.01 159.3 53.72 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.532 2.154 . . . . 0.0 112.301 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -79.97 95.38 6.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.75 105.02 15.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -161.95 120.54 2.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.55 131.25 56.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -145.43 160.13 46.11 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.35 -32.67 52.66 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.596 2.198 . . . . 0.0 112.319 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -131.64 64.3 1.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -110.11 -33.58 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.003 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.43 -34.11 63.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.847 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -30.9 69.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.34 -45.78 79.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.425 ' CD1' ' HG3' ' A' ' 66' ' ' PRO . 11.2 m-85 -58.92 -37.28 76.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.046 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.06 -33.72 50.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.18 -55.51 32.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 40.3 p -61.57 -37.52 84.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 107.91 30.28 4.03 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.467 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 34.5 mt -96.19 159.61 14.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.784 0.326 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.71 152.3 25.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.822 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -112.05 30.31 7.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.78 -34.69 6.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -85.92 128.69 34.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.85 111.83 3.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -139.1 43.16 2.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 64.1 p-90 -66.24 -30.75 71.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -59.31 -36.09 74.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.921 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.21 110.97 21.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 21.6 t -122.53 146.1 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -83.47 153.24 24.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -135.1 130.12 35.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.806 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -106.21 -30.21 9.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -90.16 52.17 2.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . 0.438 ' CZ2' ' HD2' ' A' ' 158' ' ' PRO . 36.3 t-105 -175.22 128.09 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.96 113.37 7.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -84.87 89.91 7.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.041 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -126.41 72.47 1.32 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.3 t0 59.2 31.42 21.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.11 151.44 45.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -71.84 -178.48 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.042 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.8 80.82 49.2 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.438 ' HD2' ' CZ2' ' A' ' 150' ' ' TRP . 26.5 Cg_exo -62.51 76.15 0.1 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.68 2.253 . . . . 0.0 112.24 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -140.52 -61.07 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 66.3 p-90 -91.01 141.95 28.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.802 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -127.96 164.67 21.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.956 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 18.2 mt -101.1 141.68 17.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.547 HD21 ' O ' ' A' ' 167' ' ' GLU . 13.8 tp -75.99 137.36 69.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 163' ' ' LEU . 51.6 Cg_exo -55.15 -168.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.437 2.091 . . . . 0.0 112.273 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -105.34 29.8 6.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -117.28 -42.18 2.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.547 ' O ' HD21 ' A' ' 163' ' ' LEU . 1.1 mp0 -98.73 31.41 2.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -67.21 -55.83 12.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -102.92 158.68 16.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' ILE . . . . . 0.445 HG22 ' N ' ' A' ' 171' ' ' GLN . 31.2 mt -142.22 156.26 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.445 ' N ' HG22 ' A' ' 170' ' ' ILE . 10.4 tt0 -75.64 112.71 12.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' TRP . . . . . 0.421 ' CH2' ' HB ' ' A' ' 170' ' ' ILE . 33.7 m95 -98.8 31.35 2.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -134.03 104.17 6.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 4.7 m -77.97 -53.84 6.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 61.75 168.28 0.62 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.526 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -51.46 166.55 0.48 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.718 2.278 . . . . 0.0 112.399 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 31.4 t -179.68 -38.62 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.86 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.6 t 69.47 85.65 0.14 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.339 -1.256 . . . . 0.0 112.449 179.903 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.158 0 N-CA-C 112.568 -0.213 . . . . 0.0 112.568 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -170.9 -176.12 1.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 m -152.26 109.45 3.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.25 -61.44 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.529 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.14 39.89 1.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 110.929 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.5 p -76.93 87.57 3.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.11 51.63 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.475 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.31 146.05 18.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.82 0.343 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 13.3 m0 -102.0 -61.2 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.4 t 59.52 95.51 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.217 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.2 m -98.13 35.61 1.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -75.55 179.27 46.65 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.546 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.508 ' CD2' HD13 ' A' ' 21' ' ' LEU . 11.4 m-85 -147.66 129.58 15.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.9 p -153.49 171.52 18.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.4 m120 60.62 32.44 20.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.937 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.3 mt -113.24 169.34 9.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -169.92 129.31 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.96 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.07 34.33 19.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -121.53 147.83 45.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.697 HG22 ' OG1' ' A' ' 42' ' ' THR . 24.8 t -107.86 109.79 29.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.063 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.515 HD12 HG22 ' A' ' 43' ' ' VAL . 12.8 mt -93.54 139.4 30.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -149.38 127.06 11.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.533 ' HD2' HD21 ' A' ' 28' ' ' LEU . 66.7 mttm -119.55 -179.95 4.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.66 167.16 16.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.946 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.96 -56.77 17.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.062 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.87 -31.13 69.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.952 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -70.51 -42.47 71.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.953 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.533 HD21 ' HD2' ' A' ' 23' ' ' LYS . 27.5 mt -79.85 -56.01 4.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.982 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 63.26 34.24 13.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.99 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 59.25 94.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.5 mtt85 -147.19 168.41 21.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -67.16 126.16 28.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.854 ' HB ' HD12 ' A' ' 52' ' ' LEU . 21.8 t -103.32 109.4 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.0 tp -108.11 104.6 14.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.5 ' HB3' HD11 ' A' ' 38' ' ' LEU . 6.3 mt -117.13 122.25 43.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.3 t -153.52 164.65 37.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 62.82 35.55 13.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.5 HD11 ' HB3' ' A' ' 35' ' ' LEU . 60.8 mt -97.21 152.97 18.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 72.6 m -161.69 112.88 1.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 60.28 32.01 20.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.792 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.53 148.2 29.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.697 ' OG1' HG22 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -106.67 131.59 53.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.58 ' HB ' HD12 ' A' ' 62' ' ' LEU . 21.2 t -123.22 147.75 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.23 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.6 mtm-85 -157.2 99.94 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.6 mt -93.27 134.96 34.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -121.28 107.22 12.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 158.98 -121.76 1.08 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.553 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -160.5 69.19 2.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.746 0.308 . . . . 0.0 110.855 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.54 149.51 30.8 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.555 2.17 . . . . 0.0 112.273 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -69.49 -69.28 0.35 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.15 100.03 4.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.854 HD12 ' HB ' ' A' ' 33' ' ' VAL . 38.9 tp -69.09 136.52 52.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.66 100.67 4.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.592 HD13 HD13 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -110.65 127.43 55.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 36.6 p -151.08 163.33 39.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.949 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt 59.05 33.12 22.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.18 144.77 27.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.065 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -147.6 118.66 7.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.8 m 61.03 30.15 19.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 15.0 m -111.4 151.46 28.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -115.62 146.42 41.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.592 HD13 HD13 ' A' ' 54' ' ' LEU . 0.8 OUTLIER -138.9 132.06 29.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.875 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.41 HD23 ' HB3' ' A' ' 82' ' ' ALA . 6.4 mt -141.74 103.9 4.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.8 p -134.2 165.27 25.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.78 -179.98 21.29 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.481 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -64.74 119.7 6.8 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.66 2.24 . . . . 0.0 112.276 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.435 HG22 ' N ' ' A' ' 68' ' ' SER . 12.3 p -60.8 156.35 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.435 ' N ' HG22 ' A' ' 67' ' ' VAL . 0.3 OUTLIER -71.15 -49.6 42.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.952 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.08 -77.78 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.016 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.3 m -164.04 -179.97 6.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.996 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.774 HG21 HG11 ' A' ' 83' ' ' VAL . 24.3 t -123.67 158.66 29.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.487 ' N ' HG12 ' A' ' 71' ' ' VAL . 17.4 t80 -131.85 125.77 32.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.45 ' CD1' HD13 ' A' ' 81' ' ' LEU . 5.0 tp -121.23 136.0 55.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.818 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -161.77 143.38 11.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 61.74 39.93 13.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 76.8 m -116.56 148.6 40.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.6 t -160.43 140.36 11.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 59.98 30.61 20.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.943 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.418 ' HB2' HG23 ' A' ' 96' ' ' THR . 22.5 m -112.65 168.64 9.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.836 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 22.5 t -132.25 91.57 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.06 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.45 HD13 ' CD1' ' A' ' 73' ' ' LEU . 1.3 tp -88.33 142.15 27.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.41 ' HB3' HD23 ' A' ' 63' ' ' LEU . . . -146.67 99.75 3.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.774 HG11 HG21 ' A' ' 71' ' ' VAL . 9.9 p -158.22 122.47 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.044 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.55 124.63 25.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.993 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.2 p -141.78 179.98 6.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.981 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.478 ' OE1' HD21 ' A' ' 135' ' ' LEU . 0.1 OUTLIER -92.69 -49.72 5.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.79 112.38 14.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.572 HD22 HD11 ' A' ' 100' ' ' LEU . 21.9 tp -90.48 124.22 34.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -117.28 115.45 25.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.468 HG22 ' N ' ' A' ' 91' ' ' HIS . 28.3 mt -119.64 158.39 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.468 ' N ' HG22 ' A' ' 90' ' ' ILE . 16.1 t-160 -165.72 136.96 3.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.036 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 57.65 31.01 19.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 84.6 m -103.94 150.64 24.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.1 ptmm? -164.45 139.63 5.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.3 t0 59.78 38.48 21.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.418 HG23 ' HB2' ' A' ' 79' ' ' CYS . 3.2 m -118.61 101.36 8.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -71.82 102.37 2.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.86 HG22 HD22 ' A' ' 100' ' ' LEU . 4.2 mt -96.65 137.86 23.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.009 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.595 ' CZ ' HD11 ' A' ' 170' ' ' ILE . 26.1 m-85 -126.7 91.76 3.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.935 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.86 HD22 HG22 ' A' ' 98' ' ' ILE . 2.4 pt? -140.22 -179.96 6.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.931 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -136.08 98.16 3.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.2 m -81.17 133.02 30.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 68.5 p -97.7 -30.91 12.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 65.1 m -92.88 -77.01 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.028 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 43.7 mtt180 -161.22 179.98 7.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.031 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -134.38 138.81 45.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.029 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 22.9 mt -121.32 139.43 48.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.194 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.3 m -144.82 138.67 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.053 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -137.18 133.4 35.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.7 t70 53.55 28.93 8.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 87.5 m -90.95 146.14 24.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.91 126.66 6.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.13 32.06 36.74 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.534 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 24.3 mm -90.12 148.01 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.752 ' HG2' HD13 ' A' ' 163' ' ' LEU . 0.3 OUTLIER -115.47 111.98 21.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -93.5 129.0 39.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -151.98 145.09 17.33 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.062 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -56.12 171.38 0.84 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.471 2.114 . . . . 0.0 112.24 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.447 ' CE2' ' HB2' ' A' ' 121' ' ' TRP . 68.5 t80 -89.57 142.98 27.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.759 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.7 p -137.55 104.27 5.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.447 ' HB2' ' CE2' ' A' ' 119' ' ' TYR . 0.0 OUTLIER -178.56 123.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 179.865 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.615 ' HA ' HD13 ' A' ' 126' ' ' ILE . 0.9 OUTLIER -144.63 154.05 42.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.995 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -172.47 163.69 3.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -51.55 -27.65 26.02 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.646 2.23 . . . . 0.0 112.499 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.1 30.79 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.615 HD13 ' HA ' ' A' ' 122' ' ' SER . 1.0 OUTLIER -80.97 -43.86 20.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.137 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.474 ' N ' HG23 ' A' ' 126' ' ' ILE . 0.2 OUTLIER -59.58 -34.22 72.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.953 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -67.99 -30.63 69.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.961 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -77.06 -58.43 3.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.443 ' CZ ' ' HG2' ' A' ' 137' ' ' ARG . 27.8 m-85 -58.98 -34.98 72.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -65.3 -38.18 89.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.4 m -68.41 -52.58 31.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 14.8 p -68.19 -39.14 82.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.06 28.06 32.18 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.478 HD21 ' OE1' ' A' ' 86' ' ' GLN . 5.7 mt -92.45 168.68 11.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.774 0.321 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.3 144.46 45.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.443 ' HG2' ' CZ ' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -107.41 32.07 4.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.61 -44.67 1.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.814 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 47.8 mttm -77.13 91.8 3.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -82.07 162.42 22.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.815 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -175.79 38.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.846 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 41.7 p-90 -93.76 -13.32 27.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.39 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -75.41 -31.73 60.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.909 0.385 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -91.38 105.55 17.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.42 ' HB ' ' CZ2' ' A' ' 160' ' ' TRP . 21.6 t -121.4 139.84 47.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.29 179.29 4.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -157.07 114.36 3.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -111.56 31.03 6.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -162.31 96.48 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.761 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -92.43 129.09 38.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.19 -24.97 63.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.014 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . 64.09 81.36 0.21 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.082 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.34 -47.44 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -162.14 -57.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 4.3 ptp -169.65 -178.59 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . 60.68 -169.37 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 4.0 m -141.94 89.37 8.92 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.803 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.52 63.46 1.65 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.507 2.138 . . . . 0.0 112.366 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -120.31 -48.82 2.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.817 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.42 ' CZ2' ' HB ' ' A' ' 145' ' ' VAL . 65.5 p-90 -117.8 148.51 42.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.71 168.29 16.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 35.8 mt -111.26 135.03 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.051 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.752 HD13 ' HG2' ' A' ' 115' ' ' GLN . 13.5 tp -63.17 136.2 96.58 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -73.61 -168.71 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.529 2.152 . . . . 0.0 112.314 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -97.47 39.63 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -125.57 -44.71 1.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.689 ' O ' HD21 ' A' ' 163' ' ' LEU . 3.0 mm-40 -104.89 31.82 4.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.984 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -77.3 -66.14 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -79.72 84.29 5.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' ILE . . . . . 0.595 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 1.8 mp -71.14 137.89 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -76.33 99.49 4.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' TRP . . . . . . . . . . . . . 53.1 m95 -83.65 98.22 9.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 60.21 177.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 1.5 m -144.77 -64.46 0.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 62.85 148.5 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.545 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.44 119.39 6.11 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.554 2.169 . . . . 0.0 112.324 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.48 -44.39 1.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.2 p -147.86 -47.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.405 -1.219 . . . . 0.0 112.492 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.245 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.8 p -156.55 -178.48 7.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.84 0.352 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.1 m -91.53 141.34 28.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.08 -163.4 29.13 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.482 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.3 75.29 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.353 . . . . 0.0 110.927 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -177.02 -62.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.64 77.89 0.31 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.51 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.48 -40.04 23.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.793 0.33 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -111.71 -177.69 3.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.2 t 65.52 85.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.086 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.88 124.49 35.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -143.72 175.53 23.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.481 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.673 ' CD2' HD13 ' A' ' 21' ' ' LEU . 6.8 m-85 -134.52 121.74 21.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.772 0.32 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.3 m -139.3 170.43 15.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.1 m120 62.6 39.07 11.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mt -129.59 134.51 47.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -135.96 131.25 34.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.65 32.97 20.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -116.04 171.87 7.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.435 ' O ' HD23 ' A' ' 21' ' ' LEU . 21.4 t -125.17 142.99 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.673 HD13 ' CD2' ' A' ' 13' ' ' PHE . 10.5 mt -133.22 137.33 46.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.943 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -139.15 113.2 8.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt -115.74 127.45 55.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.74 176.23 6.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.11 -31.42 72.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.7 m -76.79 -33.76 58.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -73.44 -33.33 64.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 mt -92.62 -49.76 5.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 59.19 40.58 21.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.95 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 60.21 81.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.98 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -138.09 -179.0 5.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -78.29 141.2 38.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.776 ' HB ' HD12 ' A' ' 52' ' ' LEU . 21.5 t -117.61 109.33 27.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.158 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.1 tp -118.38 136.83 53.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.522 ' HB2' HD12 ' A' ' 54' ' ' LEU . 4.9 mt -140.13 140.21 35.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 t -163.41 157.29 19.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 61.01 39.9 15.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.434 HD12 ' HB3' ' A' ' 35' ' ' LEU . 82.9 mt -112.13 133.97 53.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.99 116.42 13.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.796 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 60.52 33.57 20.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.1 t -106.2 113.97 27.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.11 122.79 25.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -118.68 118.66 58.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 37.1 mtt180 -123.32 101.91 7.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.712 HD12 ' HB2' ' A' ' 64' ' ' CYS . 3.2 mt -95.26 156.39 16.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.445 ' CE1' ' CH2' ' A' ' 121' ' ' TRP . 61.6 m-85 -146.44 104.78 3.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 163.4 -130.55 2.25 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.505 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -155.49 82.26 3.84 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 120.651 0.263 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.89 144.27 52.8 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.576 2.184 . . . . 0.0 112.335 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.52 -58.77 7.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.824 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.03 99.97 3.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.776 HD12 ' HB ' ' A' ' 33' ' ' VAL . 13.2 tp -70.03 146.38 51.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.797 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -152.72 135.64 15.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.972 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.8 HD22 HD22 ' A' ' 62' ' ' LEU . 47.6 tp -143.26 126.44 16.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.741 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.1 p -149.75 161.92 41.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt 59.62 31.41 20.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.57 143.71 29.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.058 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -146.58 122.46 10.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 m 60.18 31.17 20.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 55.7 m -108.71 163.32 13.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -124.67 117.4 24.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.8 HD22 HD22 ' A' ' 54' ' ' LEU . 16.3 tp -106.09 123.79 48.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.95 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.6 mt -136.37 111.83 9.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.712 ' HB2' HD12 ' A' ' 45' ' ' LEU . 52.1 t -143.86 156.12 44.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.09 -179.88 17.69 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.406 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.574 ' HB2' HD12 ' A' ' 135' ' ' LEU . 16.1 Cg_endo -57.26 114.39 1.92 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.674 2.249 . . . . 0.0 112.175 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.489 HG22 ' N ' ' A' ' 68' ' ' SER . 12.2 p -57.53 158.53 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.206 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.489 ' N ' HG22 ' A' ' 67' ' ' VAL . 10.1 t -63.17 -53.65 49.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.2 -78.01 0.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.077 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.0 m -149.02 -179.99 7.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.08 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.564 HG22 ' HB3' ' A' ' 52' ' ' LEU . 21.9 t -127.46 159.04 38.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.488 ' N ' HG12 ' A' ' 71' ' ' VAL . 2.0 t80 -127.36 139.05 53.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.79 HD13 HD13 ' A' ' 81' ' ' LEU . 4.3 tp -132.16 132.74 43.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -156.54 135.97 12.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.064 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 62.89 40.13 9.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.051 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.2 m -107.6 133.72 51.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.818 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -149.52 139.05 21.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 59.2 30.29 20.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 84.6 m -115.07 159.53 20.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.17 91.86 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.838 HD21 HG22 ' A' ' 83' ' ' VAL . 8.5 tt -86.85 149.91 24.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.962 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -154.64 97.91 2.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.838 HG22 HD21 ' A' ' 81' ' ' LEU . 5.3 m -155.01 120.6 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.161 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.417 ' O ' HG12 ' A' ' 67' ' ' VAL . . . -68.94 144.34 54.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.055 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.416 ' HB3' HG12 ' A' ' 67' ' ' VAL . 27.6 p -168.66 160.14 10.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.957 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -72.33 -37.57 68.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -136.22 153.31 51.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.672 HD22 HD11 ' A' ' 100' ' ' LEU . 16.7 tp -132.18 154.86 49.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -144.69 114.74 7.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.487 HG22 ' N ' ' A' ' 91' ' ' HIS . 19.3 mt -118.33 158.6 19.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.074 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.487 ' N ' HG22 ' A' ' 90' ' ' ILE . 21.7 t-80 -166.24 145.09 5.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.988 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 51.09 28.23 3.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.491 ' O ' HD11 ' A' ' 114' ' ' ILE . 47.6 m -102.59 135.02 44.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -144.71 131.67 20.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 60.1 39.99 18.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.011 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.0 m -119.5 113.87 21.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 -72.17 145.32 48.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.062 HG22 HD22 ' A' ' 100' ' ' LEU . 20.7 mt -138.98 109.26 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.198 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.596 ' CZ ' HD11 ' A' ' 170' ' ' ILE . 63.7 m-85 -103.69 93.56 4.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 1.062 HD22 HG22 ' A' ' 98' ' ' ILE . 1.8 pt? -143.13 171.96 13.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -124.01 105.19 9.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 15.1 m -91.57 138.46 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 46.1 p -109.52 -31.38 7.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.73 -74.3 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.7 ptp85 -176.33 153.79 1.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.643 ' HB3' HG13 ' A' ' 145' ' ' VAL . . . -105.53 147.54 28.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.081 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 23.6 mm -119.14 130.51 73.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 29.1 m -132.84 130.6 58.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.081 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -140.23 126.17 19.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 61.26 31.58 19.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 56.3 m -108.69 155.85 20.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 41.4 m -159.37 138.07 10.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.951 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 69.74 30.71 70.44 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.474 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.491 HD11 ' O ' ' A' ' 93' ' ' THR . 29.7 mm -83.41 158.19 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.786 0.327 . . . . 0.0 111.186 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.472 ' N ' HG22 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -122.18 123.17 40.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -115.25 118.82 34.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -148.69 152.74 38.32 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.31 169.15 0.33 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.611 2.208 . . . . 0.0 112.297 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.441 ' CE2' ' HB2' ' A' ' 121' ' ' TRP . 74.4 t80 -82.71 143.56 30.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 4.9 p -138.4 110.25 7.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.445 ' CH2' ' CE1' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -177.69 91.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.82 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 68.4 m -85.48 115.07 22.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.06 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.455 ' CG ' ' HD2' ' A' ' 124' ' ' PRO . 0.1 OUTLIER -134.09 152.82 79.08 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.737 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.455 ' HD2' ' CG ' ' A' ' 123' ' ' TYR . 29.7 Cg_endo -63.31 -25.76 71.64 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.511 2.14 . . . . 0.0 112.317 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -107.57 40.07 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.828 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -89.3 -34.19 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.209 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -59.57 -55.71 31.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.23 -31.38 70.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.59 -48.69 80.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.809 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -68.11 -36.46 79.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -68.19 -41.57 81.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.8 m -74.89 -34.9 62.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.955 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 44.2 p -65.11 -32.69 74.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.56 31.13 41.97 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.548 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.574 HD12 ' HB2' ' A' ' 66' ' ' PRO . 19.7 mt -102.51 -178.2 3.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.352 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.34 122.84 41.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.812 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -82.44 -33.61 28.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.14 -31.65 70.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.964 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -76.72 115.57 16.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -135.12 94.5 3.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -141.14 82.27 1.82 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 52.1 p-90 -103.24 34.19 3.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -117.09 -44.74 2.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -74.02 109.87 7.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.643 HG13 ' HB3' ' A' ' 106' ' ' ALA . 21.5 t -121.03 157.67 24.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . 0.457 ' N ' HG12 ' A' ' 145' ' ' VAL . 0.5 OUTLIER -105.47 110.99 23.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.11 120.53 34.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -98.66 32.75 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -165.18 70.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.768 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.81 106.27 18.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 15.0 mt -79.7 -59.9 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -96.53 136.7 36.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -84.36 93.16 8.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . 0.455 ' OD1' ' HB3' ' A' ' 156' ' ' ALA . 2.4 p30 -154.67 25.81 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.22 27.43 6.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.455 ' HB3' ' OD1' ' A' ' 154' ' ' ASP . . . -154.01 124.13 6.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.39 121.63 45.58 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -77.18 59.12 6.46 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.485 2.124 . . . . 0.0 112.388 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -128.8 -54.23 1.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 62.0 p-90 -94.93 162.59 13.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.51 171.9 16.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 33.1 mt -112.88 139.33 38.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.083 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.626 HD23 ' HG2' ' A' ' 168' ' ' ARG . 9.4 tp -71.78 136.07 83.04 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.758 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.69 -174.41 0.71 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.442 2.094 . . . . 0.0 112.282 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -98.49 28.08 4.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.962 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -120.76 -38.25 2.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.042 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.587 ' O ' HD21 ' A' ' 163' ' ' LEU . 5.6 mm-40 -97.11 36.12 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . 0.626 ' HG2' HD23 ' A' ' 163' ' ' LEU . 18.9 mtp180 -105.4 30.95 5.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.867 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -136.71 75.21 1.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' ILE . . . . . 0.596 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 3.3 mp -78.73 147.15 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.093 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -99.82 118.69 36.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' TRP . . . . . 0.542 ' CH2' HG21 ' A' ' 170' ' ' ILE . 19.1 m95 -98.48 33.69 2.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.47 164.78 11.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.995 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 53.4 p -166.2 118.58 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.819 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -102.06 105.88 2.89 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.555 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -51.18 -42.32 54.11 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.473 2.115 . . . . 0.0 112.366 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 3.3 m -169.24 -50.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 3.5 m -65.41 -31.24 72.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.092 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.45 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.165 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 60.39 174.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.98 133.67 43.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.81 -178.44 52.19 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 m 60.31 87.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.348 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.7 p -146.11 137.37 24.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.03 -63.09 0.16 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.447 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 86.8 p -80.97 -31.19 34.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.816 0.341 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -86.83 -177.98 6.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.2 t 63.93 137.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.092 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -176.69 151.3 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -153.14 156.39 26.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -135.38 130.81 35.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.851 0.357 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.0 p -165.05 176.76 8.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 60.62 36.9 19.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.411 ' HB2' HD23 ' A' ' 38' ' ' LEU . 18.2 mt -117.24 160.06 21.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -148.31 121.73 9.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 m 60.86 37.14 18.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.408 ' NE2' HD22 ' A' ' 16' ' ' LEU . 5.1 mt-30 -112.93 155.09 25.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.6 t -122.53 119.32 57.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.098 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.804 HD12 HG22 ' A' ' 43' ' ' VAL . 13.7 mt -102.49 165.3 11.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -162.54 116.52 1.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.467 ' HD2' HD22 ' A' ' 45' ' ' LEU . 41.9 mttt -116.8 158.93 23.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.812 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.17 171.82 7.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.806 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.59 -30.98 72.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.119 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.93 -33.42 74.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.65 -53.41 9.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.56 -74.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 60.87 55.77 3.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.72 85.84 0.11 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.36 170.65 20.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -85.54 150.73 24.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.76 132.73 65.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.063 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.4 tp -124.93 125.04 43.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mt -137.28 123.49 20.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 t -155.47 168.59 26.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.0 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 61.03 39.93 15.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.411 HD23 ' HB2' ' A' ' 16' ' ' LEU . 1.1 mt -118.75 139.45 51.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.6 m -133.38 120.24 20.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 60.54 31.74 20.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.773 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.0 t -99.47 168.05 10.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.684 HG23 ' HB2' ' A' ' 61' ' ' LYS . 0.7 OUTLIER -136.82 137.25 39.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.804 HG22 HD12 ' A' ' 21' ' ' LEU . 21.3 t -136.73 141.33 41.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.165 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -140.4 117.71 11.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.467 HD22 ' HD2' ' A' ' 23' ' ' LYS . 13.2 mt -107.77 126.04 52.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -107.3 113.73 27.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 147.16 -121.61 1.43 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -165.21 87.75 1.0 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.702 0.287 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 170.01 17.47 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.591 2.194 . . . . 0.0 112.342 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -84.27 -54.72 4.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.3 m -146.01 122.47 11.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.658 HD21 ' CD2' ' A' ' 62' ' ' LEU . 58.4 tp -89.1 133.39 34.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.64 116.5 17.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.6 tp -132.61 125.9 31.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.5 p -149.32 157.58 43.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.922 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mttt 60.22 36.88 20.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.06 140.05 30.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.048 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.1 m80 -133.59 106.73 7.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.1 m 60.19 29.96 19.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 86.4 m -95.42 152.79 18.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.684 ' HB2' HG23 ' A' ' 42' ' ' THR . 70.0 mttt -120.49 138.21 53.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.85 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.701 HD12 ' HB ' ' A' ' 43' ' ' VAL . 0.7 OUTLIER -134.93 128.16 31.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.439 HD21 ' CZ3' ' A' ' 172' ' ' TRP . 1.6 mt -135.95 99.91 4.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.755 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 21.5 p -130.22 170.41 14.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.98 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.441 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -72.34 -179.95 35.21 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.436 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.426 ' HG3' ' CD1' ' A' ' 130' ' ' PHE . 36.8 Cg_endo -65.7 116.84 4.16 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.507 2.138 . . . . 0.0 112.295 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.481 HG22 ' N ' ' A' ' 68' ' ' SER . 11.0 p -59.97 158.58 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.481 ' N ' HG22 ' A' ' 67' ' ' VAL . 1.2 t -64.58 -54.27 34.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -104.62 -79.21 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.059 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.5 m -158.73 -179.91 8.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.008 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.958 HG21 HG11 ' A' ' 83' ' ' VAL . 22.0 t -116.09 159.22 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.491 ' N ' HG12 ' A' ' 71' ' ' VAL . 16.6 m-85 -130.23 112.02 12.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.48 HD13 HD22 ' A' ' 81' ' ' LEU . 1.3 tp -113.41 142.47 45.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.787 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -167.15 144.7 4.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.952 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 61.51 40.05 14.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 54.3 m -108.92 146.32 33.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.5 t -146.98 124.65 11.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.96 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.7 31.12 20.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.0 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.569 ' HB2' HG23 ' A' ' 96' ' ' THR . 76.5 m -101.75 160.81 14.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.51 89.99 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.552 ' HB3' HG23 ' A' ' 98' ' ' ILE . 17.1 tp -81.17 125.94 30.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.935 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 62' ' ' LEU . . . -123.71 104.78 9.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.958 HG11 HG21 ' A' ' 71' ' ' VAL . 10.9 p -169.36 120.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.06 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.46 122.62 24.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.7 p -143.84 178.0 8.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.995 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.49 ' HG3' HD22 ' A' ' 135' ' ' LEU . 32.0 mt-30 -92.49 -30.56 15.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -144.55 155.29 43.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.55 HD22 HD13 ' A' ' 100' ' ' LEU . 57.3 tp -148.09 119.9 8.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -103.82 107.03 17.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.036 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.9 mt -102.26 147.23 9.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -153.86 137.61 16.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.058 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.6 m 57.51 30.64 19.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.482 ' O ' HD11 ' A' ' 114' ' ' ILE . 32.4 m -105.92 135.39 47.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.6 ptpt -147.4 138.17 23.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 57.33 36.67 27.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.569 HG23 ' HB2' ' A' ' 79' ' ' CYS . 87.7 m -120.25 116.59 25.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -75.01 145.23 42.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.744 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.063 HG22 HD22 ' A' ' 100' ' ' LEU . 20.4 mt -142.25 104.1 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.15 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.615 ' CZ ' HD13 ' A' ' 163' ' ' LEU . 39.5 m-85 -97.68 100.26 11.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.823 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 1.063 HD22 HG22 ' A' ' 98' ' ' ILE . 2.5 pt? -145.78 169.5 18.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -115.68 89.91 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.838 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 102' ' ' VAL . 26.8 m -82.41 115.37 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.164 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 34.0 p -78.24 -30.27 48.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -100.65 -76.62 0.55 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.2 ptt85 -174.78 177.97 1.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -134.08 147.27 50.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 29.1 mt -107.03 147.61 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.569 HG22 ' O ' ' A' ' 146' ' ' ASP . 15.5 m -145.46 119.74 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.163 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -126.65 130.8 51.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 59.56 29.72 19.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 14.3 m -106.24 163.94 12.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.5 m -167.71 130.79 1.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.01 28.13 50.9 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.525 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.482 HD11 ' O ' ' A' ' 93' ' ' THR . 26.7 mm -83.3 139.46 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.803 0.335 . . . . 0.0 111.082 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.94 116.81 31.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -102.61 125.17 49.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -144.66 149.18 42.58 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.418 ' HD3' ' CE3' ' A' ' 142' ' ' TRP . 45.4 Cg_exo -55.95 -168.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.597 2.198 . . . . 0.0 112.247 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -111.42 120.18 41.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.833 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 3.3 t -101.85 -29.21 11.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.423 ' CD1' HD22 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -57.42 99.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.009 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.662 ' HA ' HD13 ' A' ' 126' ' ' ILE . 1.1 m -139.75 174.25 10.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -154.7 164.69 20.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -50.91 -27.44 20.84 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.545 2.163 . . . . 0.0 112.317 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -124.66 62.82 1.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.662 HD13 ' HA ' ' A' ' 122' ' ' SER . 0.5 OUTLIER -109.62 -27.98 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.74 -31.33 71.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -62.75 -43.01 99.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.86 -48.33 82.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.426 ' CD1' ' HG3' ' A' ' 66' ' ' PRO . 12.6 m-85 -58.81 -32.08 69.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.48 -37.42 74.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.8 m -63.12 -31.62 72.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.01 -44.78 10.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.63 31.05 5.91 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.439 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.49 HD22 ' HG3' ' A' ' 86' ' ' GLN . 65.5 mt -89.15 152.39 21.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.804 0.335 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.11 128.09 33.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -97.11 -37.97 9.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 24.5 t -62.56 -34.45 76.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -73.59 161.6 30.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -176.16 85.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.837 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -104.25 52.18 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' TRP . . . . . 0.418 ' CE3' ' HD3' ' A' ' 118' ' ' PRO . 39.9 p-90 -77.83 -27.79 50.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.072 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.403 ' ND2' ' CE2' ' A' ' 142' ' ' TRP . 5.0 m-80 -60.43 -48.26 82.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.896 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -75.02 146.37 41.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.992 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.413 ' HB ' ' CE2' ' A' ' 160' ' ' TRP . 21.6 t -152.44 139.04 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . 0.569 ' O ' HG22 ' A' ' 108' ' ' VAL . 0.3 OUTLIER -86.08 170.35 12.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.817 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -169.92 132.04 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.945 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -114.78 31.38 6.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -122.08 -43.43 2.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 61.4 t-105 -119.87 118.11 29.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.86 104.78 9.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -111.21 175.23 5.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.069 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -116.74 -40.51 3.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -105.22 -54.56 2.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 16.8 mmt -73.69 171.09 13.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -93.68 -167.32 1.67 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.046 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 4.3 t -104.33 90.19 3.05 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -68.97 63.63 1.34 Allowed 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.515 2.143 . . . . 0.0 112.24 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -131.52 -53.46 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.413 ' CE2' ' HB ' ' A' ' 145' ' ' VAL . 68.3 p-90 -105.58 124.81 50.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 1.9 m -106.76 170.3 8.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . 0.48 HG22 ' N ' ' A' ' 163' ' ' LEU . 29.4 mt -106.35 159.06 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.056 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.615 HD13 ' CZ ' ' A' ' 99' ' ' PHE . 1.8 tt -98.68 135.17 21.13 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . 0.521 ' O ' HD23 ' A' ' 163' ' ' LEU . 72.8 Cg_endo -74.93 178.93 6.58 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.51 2.14 . . . . 0.0 112.377 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -81.75 -29.11 32.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.8 -30.82 70.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.96 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.469 ' HB2' HD21 ' A' ' 163' ' ' LEU . 58.5 mm-40 -96.61 -22.14 17.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.217 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.72 -30.15 42.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.083 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -73.73 123.47 24.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 29.1 mt -138.79 150.95 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -70.63 112.16 6.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' TRP . . . . . 0.439 ' CZ3' HD21 ' A' ' 63' ' ' LEU . 22.7 m95 -105.87 111.17 23.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -76.06 144.54 40.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 18.1 t -167.97 145.39 4.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 61.26 156.12 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.49 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.64 -172.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.553 2.169 . . . . 0.0 112.257 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 44.4 t -128.16 32.51 4.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 65.4 m -128.7 157.1 42.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.085 0 CA-C-O 118.301 -1.277 . . . . 0.0 112.456 179.963 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m -104.58 -37.84 6.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.9 m -77.73 -69.35 0.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.85 -28.71 12.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.457 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.53 179.18 7.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.753 0.311 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.7 m -82.99 -40.62 19.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.67 -130.84 6.66 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.7 t -156.8 153.0 27.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.813 0.339 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 60.18 99.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.4 m -131.71 140.9 47.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.9 m -144.93 65.35 1.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.29 174.75 40.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.549 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -144.08 113.77 7.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.0 p -144.93 175.84 9.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.969 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 62.89 31.21 16.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.558 HD13 HD21 ' A' ' 21' ' ' LEU . 10.1 mt -116.06 145.35 43.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -145.54 132.66 20.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 m 60.62 31.74 20.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -116.53 173.75 6.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.4 t -128.88 128.16 67.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.558 HD21 HD13 ' A' ' 16' ' ' LEU . 33.6 mt -114.91 141.08 48.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -141.57 156.77 45.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -156.99 157.3 34.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.944 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.2 mmt-85 -116.25 167.32 11.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.807 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.15 -33.54 75.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.3 t -69.73 -33.59 72.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.98 -39.18 66.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 mt -85.44 -69.25 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 60.57 54.48 3.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 61.73 94.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -154.63 174.94 14.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -89.26 125.55 35.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.522 HG11 HD11 ' A' ' 45' ' ' LEU . 21.5 t -105.45 128.49 59.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.124 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.6 tp -126.12 127.16 45.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.741 ' HB2' HD12 ' A' ' 54' ' ' LEU . 3.3 mt -137.62 121.67 17.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.1 t -152.37 167.41 28.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.958 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 59.57 37.72 22.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.2 mt -108.68 148.11 30.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 m -148.52 114.62 5.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 61.36 30.84 19.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.9 t -106.99 135.95 47.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.31 139.06 30.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.48 141.31 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.195 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.557 ' O ' HD23 ' A' ' 45' ' ' LEU . 5.5 mtm180 -155.82 124.43 5.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.557 HD23 ' O ' ' A' ' 44' ' ' ARG . 12.0 mt -129.48 103.63 7.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -89.34 100.02 12.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 174.64 -133.29 2.44 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -151.87 67.95 7.32 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.958 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.42 158.2 5.92 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.518 2.146 . . . . 0.0 112.346 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -78.89 -63.97 1.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.8 m -135.44 106.58 6.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.666 HD21 HD21 ' A' ' 62' ' ' LEU . 30.9 tp -72.48 158.03 36.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.935 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -164.04 126.22 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.741 HD12 ' HB2' ' A' ' 35' ' ' LEU . 5.4 tp -139.16 126.23 21.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 51.1 p -149.38 159.6 44.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt 58.9 32.91 22.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.964 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.01 139.35 38.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -138.75 122.99 18.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m 60.37 30.67 20.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 36.4 m -109.54 155.87 20.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.1 mttt -118.92 141.44 48.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.666 HD21 HD21 ' A' ' 52' ' ' LEU . 32.0 tp -133.01 112.89 12.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.65 HD23 ' CB ' ' A' ' 82' ' ' ALA . 5.9 mt -128.52 103.72 7.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 30.9 p -132.41 166.89 20.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.92 -179.87 16.83 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.423 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -61.39 120.1 7.58 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.699 2.266 . . . . 0.0 112.205 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.483 HG22 ' N ' ' A' ' 68' ' ' SER . 13.1 p -59.2 158.92 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.188 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.483 ' N ' HG22 ' A' ' 67' ' ' VAL . 9.9 t -71.07 -51.56 24.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.962 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.2 p -113.43 -78.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.073 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.8 m -152.83 -179.95 8.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.642 HG13 ' HB3' ' A' ' 52' ' ' LEU . 22.0 t -125.42 158.88 33.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.488 ' N ' HG12 ' A' ' 71' ' ' VAL . 6.9 m-85 -129.24 129.41 44.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.939 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.483 HD13 HD13 ' A' ' 81' ' ' LEU . 6.9 tp -124.75 134.95 52.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.809 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -161.49 141.07 10.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 61.78 39.45 13.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 63.3 m -111.5 135.66 51.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.29 133.18 20.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 60.17 39.0 19.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.665 ' HB2' HG23 ' A' ' 96' ' ' THR . 1.9 m -115.13 159.35 21.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.5 89.99 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.483 HD13 HD13 ' A' ' 73' ' ' LEU . 1.6 tp -80.81 148.82 29.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.65 ' CB ' HD23 ' A' ' 63' ' ' LEU . . . -153.52 97.68 2.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.055 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.462 HG11 HG21 ' A' ' 71' ' ' VAL . 10.5 p -163.92 122.87 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.09 125.23 28.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.972 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.4 ' HB3' ' CG1' ' A' ' 67' ' ' VAL . 31.7 p -142.51 179.95 6.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.937 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -94.45 -42.33 8.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.758 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -126.72 156.34 41.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.746 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.449 HD22 HD11 ' A' ' 100' ' ' LEU . 24.4 tp -139.53 140.35 37.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.016 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.41 ' HD2' ' CE2' ' A' ' 72' ' ' PHE . 0.4 OUTLIER -131.8 103.52 6.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.516 HD12 HG12 ' A' ' 108' ' ' VAL . 3.8 mt -108.42 141.47 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.042 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -152.2 135.99 16.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m 58.09 33.27 23.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.072 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.443 ' O ' HD11 ' A' ' 114' ' ' ILE . 89.1 m -104.75 143.82 32.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.868 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.7 pttm -156.44 135.95 12.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.945 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 58.9 34.58 23.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.961 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.665 HG23 ' HB2' ' A' ' 79' ' ' CYS . 22.6 m -115.42 99.96 7.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.58 130.39 44.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.757 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.627 HG22 HD22 ' A' ' 100' ' ' LEU . 3.8 mt -126.57 134.34 66.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.178 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.608 ' CD2' ' HB3' ' A' ' 117' ' ' ALA . 30.5 m-85 -126.33 102.72 7.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.627 HD22 HG22 ' A' ' 98' ' ' ILE . 2.1 pt? -150.12 169.87 20.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.991 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -126.78 89.95 3.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.798 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 21.6 m -68.3 132.75 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.191 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 p -107.67 29.65 7.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.795 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 m -162.63 -68.98 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.3 169.21 2.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -134.26 157.68 45.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.066 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 32.3 mt -128.26 139.82 50.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.2 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.572 HG23 ' HA ' ' A' ' 147' ' ' ASP . 14.2 m -143.38 122.98 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.056 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -133.69 136.83 44.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.4 t70 61.2 31.42 19.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.822 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 18.2 m -109.99 160.1 16.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.933 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 47.5 m -160.09 136.49 8.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.51 28.55 70.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.495 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.443 HD11 ' O ' ' A' ' 93' ' ' THR . 28.7 mm -78.25 146.85 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.845 0.355 . . . . 0.0 111.055 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.27 133.63 55.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.519 ' CD2' HG21 ' A' ' 145' ' ' VAL . 74.0 m-85 -122.92 121.43 36.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.608 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . . . -127.1 157.84 70.91 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.165 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.454 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 55.4 Cg_endo -70.03 151.81 67.67 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.604 2.203 . . . . 0.0 112.302 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -89.35 124.24 34.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.8 t -140.33 66.34 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.464 ' O ' HD12 ' A' ' 126' ' ' ILE . 0.0 OUTLIER -113.44 90.52 3.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.4 m -92.91 152.04 19.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -151.97 166.34 15.47 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_exo -51.07 -27.29 21.3 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.536 2.157 . . . . 0.0 112.403 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -146.72 87.1 1.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.814 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.464 HD12 ' O ' ' A' ' 121' ' ' TRP . 17.5 tt -109.48 -25.46 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.249 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.92 -48.78 75.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 10.7 mttp -63.99 -37.51 87.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.6 -35.56 79.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -75.57 -37.05 60.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.823 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -63.39 -39.48 94.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.2 m -61.52 -33.98 74.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 19.9 p -87.06 -32.74 19.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.99 31.04 29.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.472 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 45.0 mt -92.43 134.74 34.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -86.78 120.35 27.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.57 -42.86 33.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.0 -36.78 78.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -100.85 122.77 44.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -173.77 171.16 3.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -160.63 84.49 0.69 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.805 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' TRP . . . . . 0.404 ' CZ3' ' OD1' ' A' ' 143' ' ' ASN . 67.0 p-90 -84.99 -22.54 29.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.156 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.404 ' OD1' ' CZ3' ' A' ' 142' ' ' TRP . 25.6 m-20 -82.31 57.53 3.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.945 0.402 . . . . 0.0 110.957 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -170.16 111.89 0.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.811 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.519 HG21 ' CD2' ' A' ' 116' ' ' PHE . 21.3 t -130.28 121.67 51.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.183 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.66 104.05 16.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.798 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.572 ' HA ' HG23 ' A' ' 108' ' ' VAL . 10.5 p-10 -85.03 152.56 23.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -109.3 29.86 7.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.006 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -122.06 -42.12 2.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 57.2 t-105 -107.19 162.64 13.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 3.7 tt -154.06 101.36 2.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -148.63 146.29 28.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.92 -31.38 16.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.979 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -108.73 -43.66 4.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.75 157.45 32.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.817 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -91.07 -174.37 3.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 3.1 m -101.6 94.78 4.54 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -68.41 65.98 1.11 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.485 2.123 . . . . 0.0 112.249 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -149.18 -61.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 62.3 p-90 -95.33 171.14 8.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 1.4 m -154.93 160.37 41.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 27.8 mt -99.39 133.79 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 168' ' ' ARG . 22.6 tp -69.45 124.72 91.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.81 170.29 0.47 Allowed 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.355 2.037 . . . . 0.0 112.26 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -70.08 -42.85 72.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.751 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -59.88 -31.34 69.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.41 ' HB3' HD11 ' A' ' 163' ' ' LEU . 4.4 mm-40 -91.6 -23.72 19.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.065 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . 0.504 ' HA ' HD23 ' A' ' 163' ' ' LEU . 4.0 mtm-85 -54.65 -47.6 73.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.873 0.368 . . . . 0.0 111.055 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -73.13 105.53 4.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' ILE . . . . . 0.427 HG22 ' N ' ' A' ' 171' ' ' GLN . 30.7 mt -105.62 155.34 6.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.023 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.427 ' N ' HG22 ' A' ' 170' ' ' ILE . 18.8 mm-40 -92.49 99.46 12.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.972 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -74.85 -70.65 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -70.95 156.04 40.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 78.8 p -104.9 -30.22 9.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 114.21 67.73 0.47 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.554 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.28 -175.81 1.92 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.604 2.202 . . . . 0.0 112.323 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 5.2 m 59.38 162.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.941 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 40.0 p -135.87 136.11 40.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.414 -1.214 . . . . 0.0 112.44 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.7 t 60.31 79.21 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -131.17 -49.74 1.01 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.28 -78.95 0.67 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.531 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.17 172.89 8.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.837 0.351 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 p -129.68 -48.42 1.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.75 152.43 7.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.472 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.551 ' HB3' HG22 ' A' ' 10' ' ' VAL . 3.7 t -82.08 167.08 19.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.752 0.311 . . . . 0.0 110.933 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -99.66 31.4 3.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.551 HG22 ' HB3' ' A' ' 8' ' ' SER . 13.9 m -103.97 78.92 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.8 p -136.71 -46.42 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.013 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.3 -113.13 3.85 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.512 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -137.45 151.76 48.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.892 0.377 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.3 p -169.74 174.31 5.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 61.16 35.25 18.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.481 HD12 HD21 ' A' ' 38' ' ' LEU . 2.7 mt -119.67 148.32 43.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -146.05 125.29 12.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.23 35.38 20.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -113.96 163.5 15.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.55 HG22 ' OG1' ' A' ' 42' ' ' THR . 19.1 t -122.31 109.77 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.077 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.469 HD11 HD13 ' A' ' 16' ' ' LEU . 23.9 mt -93.88 144.59 25.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -140.28 131.18 26.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.617 ' HD2' HD22 ' A' ' 45' ' ' LEU . 18.4 mttm -128.02 179.54 5.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.85 173.48 11.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.16 -31.05 71.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.117 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.67 -32.73 62.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -70.3 -52.2 24.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 mt -60.19 -58.61 7.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.948 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.6 t60 59.99 34.04 21.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 60.17 87.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 -153.19 163.12 40.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.3 132.32 49.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.746 ' HB ' HD12 ' A' ' 52' ' ' LEU . 21.5 t -111.34 123.77 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.137 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.7 tp -129.18 137.3 51.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.514 ' HB3' HD11 ' A' ' 38' ' ' LEU . 3.7 mp -144.65 138.18 27.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.1 t -162.84 167.88 22.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 61.09 38.73 16.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.514 HD11 ' HB3' ' A' ' 35' ' ' LEU . 4.3 mt -112.71 136.99 51.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.63 111.99 12.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.4 t30 59.81 32.03 21.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.001 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.6 t -96.59 136.71 36.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.55 ' OG1' HG22 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -93.81 126.74 39.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.3 t -121.29 126.75 75.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.055 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -136.08 99.94 4.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.814 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.617 HD22 ' HD2' ' A' ' 23' ' ' LYS . 13.1 mt -98.76 140.19 33.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -126.99 131.26 51.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 134.14 -119.69 2.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.504 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -168.5 84.65 0.71 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.785 0.326 . . . . 0.0 110.777 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.27 164.88 34.23 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.531 2.154 . . . . 0.0 112.348 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.81 -69.66 0.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.2 m -136.85 113.99 10.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.0 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.746 HD12 ' HB ' ' A' ' 33' ' ' VAL . 27.8 tp -80.94 140.5 35.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -142.29 118.27 10.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.78 HD13 HD13 ' A' ' 62' ' ' LEU . 2.1 tp -121.0 132.35 54.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.0 p -153.53 155.21 35.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.052 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt 58.95 34.05 23.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.022 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.15 127.86 44.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -128.7 113.4 15.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.0 m 59.84 28.44 17.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.976 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 84.0 m -96.62 167.16 11.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.4 mttm -123.14 146.29 47.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.794 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.78 HD13 HD13 ' A' ' 54' ' ' LEU . 3.2 tt -152.25 125.1 8.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.829 HD23 ' HB3' ' A' ' 82' ' ' ALA . 5.3 mt -138.24 108.67 6.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.839 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.459 ' O ' HG23 ' A' ' 83' ' ' VAL . 49.3 t -130.89 156.95 44.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.991 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.79 -179.81 16.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.411 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.26 112.59 1.28 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.572 2.181 . . . . 0.0 112.223 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.491 HG22 ' N ' ' A' ' 68' ' ' SER . 11.3 p -64.5 158.74 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.491 ' N ' HG22 ' A' ' 67' ' ' VAL . 10.4 t -72.0 -52.97 14.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 p -98.57 -79.51 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.967 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.2 m -165.1 -179.97 6.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.938 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.553 HG13 ' HB3' ' A' ' 52' ' ' LEU . 21.6 t -121.61 157.87 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.464 ' N ' HG12 ' A' ' 71' ' ' VAL . 3.4 t80 -117.61 159.17 23.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.976 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.479 HD13 HD22 ' A' ' 81' ' ' LEU . 2.1 tp -159.34 107.57 1.8 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -142.19 145.78 34.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 63.3 34.22 13.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 95.5 m -107.5 146.47 31.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 66.0 p -154.97 131.76 10.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 59.78 33.32 21.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.949 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.656 ' H ' HG23 ' A' ' 96' ' ' THR . 0.1 OUTLIER -103.4 167.42 9.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.824 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -132.91 92.87 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.543 ' HB3' HG23 ' A' ' 98' ' ' ILE . 9.9 tp -90.66 153.68 20.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.829 ' HB3' HD23 ' A' ' 63' ' ' LEU . . . -157.97 97.26 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 64' ' ' CYS . 12.3 p -165.33 131.92 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.057 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.68 135.03 39.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.07 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.4 p -153.43 147.19 25.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.507 ' HG3' HD21 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -59.93 -41.49 91.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.3 171.12 14.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.993 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.664 HD21 HD11 ' A' ' 90' ' ' ILE . 21.5 tp -151.8 123.0 7.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.6 107.97 15.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.664 HD11 HD21 ' A' ' 88' ' ' LEU . 20.2 mt -112.02 154.15 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.404 ' N ' HG22 ' A' ' 90' ' ' ILE . 30.7 t-80 -165.04 138.47 4.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 60.0 m 60.05 35.31 21.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.2 m -113.04 154.34 26.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.22 137.87 3.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.94 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 59.92 39.83 19.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.972 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.656 HG23 ' H ' ' A' ' 79' ' ' CYS . 0.2 OUTLIER -120.38 113.76 20.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.402 HH21 HD11 ' A' ' 163' ' ' LEU . 14.7 mtp180 -75.59 129.33 37.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.77 HG22 HD22 ' A' ' 100' ' ' LEU . 19.9 mt -134.0 120.08 34.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.476 ' CD2' ' HB3' ' A' ' 117' ' ' ALA . 9.7 m-85 -111.96 101.61 9.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.77 HD22 HG22 ' A' ' 98' ' ' ILE . 2.3 pt? -142.57 179.75 6.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -136.74 93.63 2.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.9 m -84.32 132.03 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.7 p -95.6 -31.14 13.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.5 m -89.42 -71.66 0.59 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -176.97 179.15 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.842 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.403 ' HB3' HG12 ' A' ' 145' ' ' VAL . . . -137.41 143.33 41.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 30.4 mm -116.67 135.46 56.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.7 m -141.09 124.09 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.18 133.32 50.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.3 t0 59.99 31.33 20.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 7.8 m -94.4 149.43 21.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.92 124.22 4.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.52 30.69 48.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.481 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.439 HG22 ' N ' ' A' ' 115' ' ' GLN . 27.5 mm -87.87 156.69 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 111.122 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.439 ' N ' HG22 ' A' ' 114' ' ' ILE . 0.1 OUTLIER -128.98 139.86 51.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -130.36 134.86 47.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.582 ' HB1' ' HD3' ' A' ' 168' ' ' ARG . . . -154.15 152.63 26.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.093 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -51.84 157.06 6.09 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.594 2.196 . . . . 0.0 112.275 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.44 ' CZ ' ' HB2' ' A' ' 121' ' ' TRP . 19.5 t80 -63.06 158.34 19.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.971 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -148.67 97.53 2.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.44 ' HB2' ' CZ ' ' A' ' 119' ' ' TYR . 0.0 OUTLIER -173.27 144.8 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.1 m -123.52 155.54 37.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.445 ' CG ' ' HD2' ' A' ' 124' ' ' PRO . 0.1 OUTLIER -160.4 145.61 11.09 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.778 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' A' ' 123' ' ' TYR . 25.8 Cg_endo -62.13 -32.98 83.27 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.498 2.132 . . . . 0.0 112.338 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -121.24 45.21 2.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.81 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.423 HG12 ' CE2' ' A' ' 130' ' ' PHE . 7.7 tt -83.97 -29.74 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.163 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.63 -31.36 68.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.994 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -87.29 -29.57 21.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -58.62 -54.79 43.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.423 ' CE2' HG12 ' A' ' 126' ' ' ILE . 22.5 m-85 -60.18 -45.96 91.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -63.68 -32.82 74.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 26.4 m -62.06 -64.29 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.31 -31.17 68.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.815 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.97 27.42 5.67 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.551 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.507 HD21 ' HG3' ' A' ' 86' ' ' GLN . 92.5 mt -89.91 172.74 8.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.832 0.348 . . . . 0.0 110.852 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.54 155.68 38.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.81 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -106.08 -31.18 8.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.0 t -98.33 30.63 3.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.002 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -138.3 94.99 2.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -107.11 134.77 49.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -142.56 47.27 1.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.803 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' TRP . . . . . 0.407 ' O ' ' CE3' ' A' ' 142' ' ' TRP . 46.1 p-90 -96.78 39.43 1.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.966 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -130.29 -45.96 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.84 107.27 14.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.403 HG12 ' HB3' ' A' ' 106' ' ' ALA . 17.8 m -128.88 142.8 43.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.25 100.44 13.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -86.25 135.66 33.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -106.28 30.99 5.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -133.36 30.83 3.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.48 126.97 31.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 8.7 mt -116.52 35.53 4.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . 59.84 37.65 21.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.172 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -65.26 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -176.56 -71.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 2.1 tmm? -141.19 -51.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -95.78 167.04 11.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.025 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -127.92 135.28 27.25 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.98 60.75 6.23 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.554 2.169 . . . . 0.0 112.304 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -126.61 -51.97 1.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 41.7 p-90 -106.88 175.28 5.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 18.6 m -159.26 176.33 12.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . 0.477 HG22 ' N ' ' A' ' 163' ' ' LEU . 21.7 mt -117.3 158.6 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.077 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.521 HD21 ' O ' ' A' ' 167' ' ' GLU . 25.4 tp -101.12 130.14 25.63 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.792 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.72 153.58 18.81 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.419 2.08 . . . . 0.0 112.18 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -30.81 70.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -73.24 -28.41 62.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.521 ' O ' HD21 ' A' ' 163' ' ' LEU . 48.1 mt-10 -97.73 27.62 4.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.018 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . 0.582 ' HD3' ' HB1' ' A' ' 117' ' ' ALA . 8.5 mtm180 -102.46 -30.19 11.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.941 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -70.99 93.91 1.04 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.961 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 27.6 mm -102.18 124.64 56.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.35 86.05 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' TRP . . . . . 0.444 ' CZ3' HD21 ' A' ' 63' ' ' LEU . 60.0 m95 -62.22 -35.77 79.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.27 128.79 33.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 12.0 t -123.4 162.45 22.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -164.87 -155.43 8.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.516 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.24 -31.65 18.0 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.572 2.181 . . . . 0.0 112.289 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.04 -45.63 1.26 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 2.0 m 61.65 35.79 16.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.994 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.343 -1.254 . . . . 0.0 112.507 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.29 140.81 45.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.347 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.1 m 60.37 104.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.937 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.79 -82.64 0.48 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.497 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.2 m 60.53 87.48 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.774 0.321 . . . . 0.0 110.836 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.2 m -127.07 176.12 7.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.42 -164.41 34.79 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.448 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.1 t 60.65 167.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.832 0.349 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 21.9 m0 -77.0 94.64 4.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.1 t -126.71 86.34 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.068 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 82.0 m -150.99 110.17 3.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.69 -150.65 7.89 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.425 ' H ' HD23 ' A' ' 35' ' ' LEU . 31.6 m-85 -124.14 137.89 54.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.8 0.333 . . . . 0.0 110.929 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 m -154.06 174.63 14.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 60.33 34.48 20.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.8 mt -132.86 140.31 47.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -143.17 150.56 39.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.961 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 m 59.59 32.53 21.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -121.66 168.38 11.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.6 110.31 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.474 HD12 HG22 ' A' ' 43' ' ' VAL . 16.0 mt -91.76 164.46 13.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -163.96 133.2 3.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -129.67 164.75 23.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -120.47 165.98 14.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.42 -43.88 97.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.052 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -66.53 -31.65 72.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -70.76 -40.27 72.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.5 mt -76.45 -61.66 1.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 60.53 43.16 13.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 63.65 78.15 0.3 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.837 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.74 -177.73 4.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -102.45 128.13 49.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -99.62 146.64 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 tp -149.16 102.74 3.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.73 ' HB2' HD12 ' A' ' 54' ' ' LEU . 54.9 mt -116.41 125.22 51.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.7 t -151.89 162.78 40.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.998 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 61.03 38.51 17.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.778 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 mt -120.81 137.78 54.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.88 127.77 23.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.702 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 61.01 30.43 19.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.6 t -115.37 107.37 15.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.434 HG23 ' HB2' ' A' ' 61' ' ' LYS . 3.5 m -69.74 138.26 52.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.474 HG22 HD12 ' A' ' 21' ' ' LEU . 21.5 t -130.85 140.02 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.3 mtt180 -141.05 125.99 18.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.4 mt -117.6 129.78 55.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -113.06 125.87 54.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 133.29 -137.35 9.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -151.8 87.23 4.43 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.721 0.296 . . . . 0.0 110.806 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -73.85 160.94 42.57 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.587 2.191 . . . . 0.0 112.4 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -69.12 -64.3 0.9 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.66 142.2 49.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.817 HD21 HD21 ' A' ' 62' ' ' LEU . 26.0 tp -109.62 122.81 48.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -129.77 115.19 16.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.852 HD13 HD13 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -130.96 128.81 41.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.3 p -150.29 162.52 40.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt 59.24 32.36 21.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.91 121.48 42.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -124.45 123.49 40.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.8 m 60.24 31.52 20.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.947 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 82.1 m -110.11 166.51 10.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.434 ' HB2' HG23 ' A' ' 42' ' ' THR . 25.8 mtpt -123.19 161.6 24.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.852 HD13 HD13 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -155.72 122.47 5.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.973 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.69 HD23 ' HB3' ' A' ' 82' ' ' ALA . 34.4 mt -130.83 99.96 5.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.753 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.428 ' O ' HG23 ' A' ' 83' ' ' VAL . 45.5 t -126.12 154.74 42.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.023 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.453 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -72.31 -179.79 34.79 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.45 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.753 ' HB2' HD12 ' A' ' 135' ' ' LEU . 12.8 Cg_endo -56.38 108.74 0.36 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.641 2.227 . . . . 0.0 112.102 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.487 HG22 ' N ' ' A' ' 68' ' ' SER . 11.9 p -57.36 158.73 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.142 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.487 ' N ' HG22 ' A' ' 67' ' ' VAL . 20.4 m -73.91 -51.25 16.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -102.12 -79.85 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.996 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.84 -179.95 7.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.614 HG13 ' HB3' ' A' ' 52' ' ' LEU . 25.0 t -119.57 157.04 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.086 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.457 ' N ' HG12 ' A' ' 71' ' ' VAL . 7.6 t80 -135.99 132.87 36.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.748 HD13 HD13 ' A' ' 81' ' ' LEU . 2.9 tp -125.43 145.4 50.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -165.48 139.07 4.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 60.85 40.0 16.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.959 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 9.1 m -110.2 148.2 32.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.5 p -159.43 132.59 7.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 59.88 30.47 20.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 t -104.96 160.69 14.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.979 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 30.3 t -125.45 89.95 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.974 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.748 HD13 HD13 ' A' ' 73' ' ' LEU . 7.0 tt -97.31 120.2 37.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.69 ' HB3' HD23 ' A' ' 63' ' ' LEU . . . -125.5 113.39 17.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.008 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.464 HG11 HD23 ' A' ' 52' ' ' LEU . 13.4 p -170.09 139.2 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.63 137.78 34.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.029 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.41 ' HB3' HG12 ' A' ' 67' ' ' VAL . 29.3 p -157.13 172.94 17.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.995 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -89.02 -42.21 11.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -129.1 163.47 25.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.404 HD22 HD11 ' A' ' 100' ' ' LEU . 21.5 tp -147.93 131.7 16.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.408 ' HB3' ' CE2' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -119.76 105.57 11.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.59 HD12 HG12 ' A' ' 108' ' ' VAL . 22.4 mt -103.38 147.23 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.133 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -160.2 132.65 6.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.983 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 m 58.75 29.04 18.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.008 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.443 ' O ' HD11 ' A' ' 114' ' ' ILE . 76.8 m -97.42 133.54 41.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.813 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.6 ptmm? -147.57 133.47 19.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.77 40.06 23.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.058 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.9 m -120.05 111.17 17.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 -80.23 112.12 17.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.514 HG22 HD22 ' A' ' 100' ' ' LEU . 1.4 mp -113.38 113.47 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.683 ' CD2' ' HB3' ' A' ' 117' ' ' ALA . 12.9 m-85 -101.06 92.38 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.798 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.514 HD22 HG22 ' A' ' 98' ' ' ILE . 2.0 pt? -129.44 178.99 6.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.982 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -135.95 90.01 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.795 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 18.7 m -79.57 138.22 20.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.202 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.82 -30.56 8.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.803 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 36.4 m -92.14 -69.9 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.34 177.73 1.45 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.712 ' HB3' HG13 ' A' ' 145' ' ' VAL . . . -136.79 152.44 50.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 21.8 mt -127.73 130.05 70.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.59 HG12 HD12 ' A' ' 90' ' ' ILE . 12.3 m -131.28 131.01 63.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.078 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -139.59 130.96 26.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.1 t0 60.03 31.63 20.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 21.9 m -110.75 155.65 22.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.5 m -155.41 134.38 12.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.963 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 76.75 27.88 60.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.572 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.443 HD11 ' O ' ' A' ' 93' ' ' THR . 26.7 mm -81.23 127.05 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 111.096 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.91 121.9 45.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.96 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -108.27 110.36 21.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.683 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . . . -121.26 146.5 44.76 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.038 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.45 -176.08 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.469 2.113 . . . . 0.0 112.347 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -93.65 101.39 13.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 40.6 p -83.34 -35.45 25.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.988 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.42 106.98 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -119.8 154.41 34.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.848 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.604 ' O ' HG22 ' A' ' 126' ' ' ILE . 0.2 OUTLIER -140.73 156.33 69.0 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.419 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 53.3 Cg_exo -52.45 -53.56 6.68 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.481 2.121 . . . . 0.0 112.276 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.87 38.33 1.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.604 HG22 ' O ' ' A' ' 123' ' ' TYR . 1.1 tp -76.16 -32.68 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.044 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.35 -48.19 81.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -60.26 -31.2 70.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -65.3 -46.9 78.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.956 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -64.59 -37.82 88.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -64.24 -31.6 72.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 18.3 m -60.41 -62.65 1.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 44.4 p -59.97 -34.05 72.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.2 28.09 5.64 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.753 HD12 ' HB2' ' A' ' 66' ' ' PRO . 83.5 mt -90.42 157.4 17.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.831 0.348 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -104.04 133.53 48.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.97 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -102.91 30.31 4.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.69 -61.49 1.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.958 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.44 130.56 35.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -140.85 121.06 13.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -123.54 51.64 1.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 45.2 p-90 -71.56 -31.25 66.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -62.41 -56.13 21.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.51 127.42 32.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.712 HG13 ' HB3' ' A' ' 106' ' ' ALA . 22.1 t -141.43 139.07 32.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -80.5 123.65 28.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.965 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.39 146.41 28.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -116.19 -61.84 1.67 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.781 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -81.98 77.89 8.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.82 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 10.1 t-105 -73.98 -70.51 0.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.976 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.525 HD22 ' N ' ' A' ' 151' ' ' LEU . 3.3 mm? 53.86 88.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.14 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -178.19 -46.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 61.93 30.66 18.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.32 27.35 0.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.034 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 66.8 mtm 58.56 27.22 15.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.061 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -123.93 119.35 29.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.188 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.94 88.31 41.91 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -73.33 61.5 4.19 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.511 2.141 . . . . 0.0 112.414 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -123.75 -41.72 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 32.8 p-90 -118.55 135.27 54.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.836 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 68.6 m -134.57 173.46 11.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 30.7 mm -113.83 139.28 40.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.703 HD21 ' O ' ' A' ' 167' ' ' GLU . 2.8 tp -79.4 138.43 55.52 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -67.86 148.12 76.1 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.447 2.098 . . . . 0.0 112.22 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.24 -27.71 64.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.032 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -70.2 -25.32 63.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.14 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.703 ' O ' HD21 ' A' ' 163' ' ' LEU . 38.4 mt-10 -96.92 28.29 3.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.071 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -105.96 32.14 4.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -129.68 87.08 2.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 3.6 mp -105.67 149.72 8.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -94.16 127.65 40.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' TRP . . . . . 0.474 ' CH2' HD21 ' A' ' 63' ' ' LEU . 74.0 m95 -97.33 -69.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.954 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -97.26 -66.93 0.87 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 41.6 t -177.19 37.81 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 95.21 149.15 25.31 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.458 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.04 161.39 3.43 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.594 2.196 . . . . 0.0 112.312 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 3.6 m -105.6 106.55 17.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.3 m -121.22 111.48 17.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.43 -1.206 . . . . 0.0 112.535 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.125 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -124.16 37.94 4.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.68 144.2 28.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.77 89.78 2.09 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.535 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -144.02 30.1 1.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.787 0.327 . . . . 0.0 110.971 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m 58.92 30.77 20.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.77 109.99 1.14 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.523 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.0 p -172.73 122.65 0.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.433 ' CG ' ' HD2' ' A' ' 31' ' ' ARG . 25.8 t-105 -113.72 90.79 3.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 10' ' ' VAL . 8.3 m -139.28 80.5 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -128.78 108.06 10.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.83 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -118.21 -153.0 9.46 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.535 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -135.25 129.26 33.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.793 0.33 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.0 p -152.73 172.23 17.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 35.9 m120 60.35 37.66 20.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.717 HD13 HD11 ' A' ' 21' ' ' LEU . 3.0 mt -116.06 143.58 45.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -142.69 124.41 15.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.4 m 60.87 37.29 18.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -117.67 168.74 10.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.6 t -134.39 115.54 20.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.717 HD11 HD13 ' A' ' 16' ' ' LEU . 2.0 mt -104.2 156.23 18.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -147.42 111.21 5.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -105.7 179.43 4.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.29 -179.99 7.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -49.46 77.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.7 -33.01 73.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -33.89 67.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.845 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mt -83.3 -43.58 15.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.3 t60 59.71 24.83 13.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.046 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.07 84.08 0.08 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.009 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.433 ' HD2' ' CG ' ' A' ' 9' ' ' TRP . 45.0 mtt-85 -159.59 -178.75 7.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -69.26 149.2 48.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.594 ' HB ' HD12 ' A' ' 52' ' ' LEU . 21.5 t -124.88 158.55 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.48 ' N ' HG12 ' A' ' 33' ' ' VAL . 0.6 OUTLIER -145.55 128.84 16.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.443 HD13 ' CD1' ' A' ' 62' ' ' LEU . 7.2 mt -144.89 118.15 8.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.5 t -152.82 170.21 20.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 60.48 35.25 20.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.499 HD21 HD12 ' A' ' 16' ' ' LEU . 4.3 mt -108.83 133.55 52.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 m -137.48 122.99 19.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 59.36 31.22 20.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.5 t -110.41 163.97 13.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.8 m -128.77 142.99 50.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.18 132.84 66.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.137 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -126.09 100.01 6.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.6 mt -96.9 116.65 29.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.955 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -107.96 100.17 9.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 157.38 -147.73 16.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -142.26 83.84 11.93 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.726 0.298 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.86 172.45 12.72 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.56 2.173 . . . . 0.0 112.34 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -82.32 -66.76 0.85 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.969 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.17 108.65 8.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.997 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.688 ' HB3' HG22 ' A' ' 71' ' ' VAL . 41.3 tp -83.23 146.73 28.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.71 131.02 23.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.661 HD23 ' CD1' ' A' ' 73' ' ' LEU . 11.3 tp -142.37 103.3 4.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.6 p -133.49 161.97 33.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp 60.37 39.56 18.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.18 151.27 23.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.046 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -149.01 112.87 5.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 m 60.91 37.14 18.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 16.5 m -116.25 143.07 46.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.968 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -107.9 136.78 47.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.619 HD13 HD13 ' A' ' 54' ' ' LEU . 2.4 tt -132.97 134.32 44.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.971 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.697 HD21 ' CZ3' ' A' ' 172' ' ' TRP . 1.0 OUTLIER -133.59 120.14 20.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.813 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 51.5 t -142.83 155.82 44.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.35 -179.86 38.54 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.441 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.749 ' HB2' HD12 ' A' ' 135' ' ' LEU . 15.3 Cg_endo -57.11 106.29 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.751 2.301 . . . . 0.0 112.163 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.524 ' O ' HD11 ' A' ' 135' ' ' LEU . 11.9 p -58.17 158.82 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.266 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.494 ' N ' HG22 ' A' ' 67' ' ' VAL . 22.4 t -69.45 -54.89 12.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.23 -77.15 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.2 m -164.93 179.98 6.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.688 HG22 ' HB3' ' A' ' 52' ' ' LEU . 21.4 t -127.19 144.47 37.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -111.99 146.19 38.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.661 ' CD1' HD23 ' A' ' 54' ' ' LEU . 2.2 tp -142.9 135.09 27.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -160.44 148.3 16.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.025 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.02 39.74 19.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 73.9 m -118.19 131.78 56.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.8 p -138.96 139.09 37.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 59.86 30.93 20.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.69 ' HB2' HG23 ' A' ' 96' ' ' THR . 77.6 m -106.3 162.59 13.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.59 90.36 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.078 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.548 HD22 HD13 ' A' ' 73' ' ' LEU . 33.3 tp -87.21 152.77 22.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -156.53 99.49 1.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.044 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.596 HG11 HG21 ' A' ' 71' ' ' VAL . 11.3 p -159.23 122.74 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.046 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.23 138.71 57.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.467 ' HB3' HG12 ' A' ' 67' ' ' VAL . 28.8 p -163.89 154.72 15.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.414 ' HG3' HD22 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -67.73 -39.31 84.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -132.08 146.95 52.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.924 HD22 HD11 ' A' ' 100' ' ' LEU . 49.9 tp -128.6 105.58 8.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 70.8 mtm-85 -93.83 117.53 30.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.628 HD11 ' CD2' ' A' ' 88' ' ' LEU . 4.4 mt -125.15 137.48 57.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -150.64 134.91 17.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.94 36.51 12.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 32.1 m -110.22 146.12 36.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -158.11 133.72 8.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.988 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.4 t0 59.24 38.24 23.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.69 HG23 ' HB2' ' A' ' 79' ' ' CYS . 32.0 m -121.58 102.89 8.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.984 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -67.44 141.14 57.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.974 HG22 HD22 ' A' ' 100' ' ' LEU . 24.4 mt -138.81 116.45 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.732 ' CZ ' HD22 ' A' ' 163' ' ' LEU . 5.3 m-85 -104.37 95.82 6.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.974 HD22 HG22 ' A' ' 98' ' ' ILE . 2.3 pt? -142.47 172.19 13.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -124.11 102.92 7.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 8.1 m -89.42 121.27 39.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 47.0 p -77.53 -32.0 53.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 m -102.28 -71.58 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -174.73 167.14 3.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.482 ' HB3' HG13 ' A' ' 145' ' ' VAL . . . -111.34 126.29 54.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 21.3 mt -88.89 122.41 40.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.074 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 146' ' ' ASP . 19.8 m -127.82 156.74 39.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -168.25 126.63 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.919 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 60.74 31.57 20.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.603 ' SG ' HG22 ' A' ' 90' ' ' ILE . 85.5 m -114.34 128.51 56.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.83 139.53 47.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.36 28.42 57.88 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 25.0 mm -85.01 147.76 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.834 0.349 . . . . 0.0 111.11 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -125.18 116.67 22.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -99.38 165.73 11.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.945 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -169.97 152.38 4.39 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.09 145.51 49.7 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.599 2.199 . . . . 0.0 112.284 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.514 ' O ' HG23 ' A' ' 120' ' ' THR . 38.6 t80 -83.82 133.98 34.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 119' ' ' TYR . 2.1 p -160.04 42.0 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.996 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.435 ' HB2' ' CZ ' ' A' ' 119' ' ' TYR . 0.1 OUTLIER -61.97 163.13 8.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 49.2 m -118.04 123.75 46.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.493 ' O ' HG22 ' A' ' 126' ' ' ILE . 2.2 t80 -161.26 140.79 7.84 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.446 ' HD2' ' CG ' ' A' ' 123' ' ' TYR . 30.8 Cg_endo -63.64 -23.16 70.11 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.467 2.111 . . . . 0.0 112.308 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -121.26 53.9 1.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.493 HG22 ' O ' ' A' ' 123' ' ' TYR . 9.0 tt -110.02 -44.71 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.167 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.487 ' N ' HG23 ' A' ' 126' ' ' ILE . 25.5 m-20 -65.03 -32.69 74.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.961 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -79.03 -35.1 43.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.92 -34.73 75.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.27 -32.3 73.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -77.6 -39.99 43.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.6 m -60.23 -31.63 70.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 76.8 p -79.85 -43.51 22.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 102.47 31.03 5.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.534 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.749 HD12 ' HB2' ' A' ' 66' ' ' PRO . 12.1 mt -106.41 150.78 25.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.754 0.311 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.93 130.78 42.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -93.81 -33.86 13.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.1 m -68.53 -37.93 80.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.62 105.24 9.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -118.59 163.38 16.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -176.22 40.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 60.9 p-90 -72.4 -27.81 62.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -57.3 -30.79 65.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.049 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.57 109.89 22.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.811 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.482 HG13 ' HB3' ' A' ' 106' ' ' ALA . 21.6 t -116.55 143.04 27.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.128 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . 0.477 ' O ' HG22 ' A' ' 108' ' ' VAL . 2.5 m-20 -90.56 115.56 27.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.801 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -103.09 125.43 49.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.973 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -98.72 33.38 2.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -144.89 31.22 1.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -80.07 106.12 11.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -108.1 32.23 4.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -123.05 174.99 6.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.072 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.91 -44.99 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -153.79 79.43 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 2.5 ptp -176.53 156.28 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -70.67 161.06 31.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.107 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 3.4 m -115.31 103.48 54.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -68.8 63.99 1.28 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.4 2.067 . . . . 0.0 112.302 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -119.0 -41.09 2.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.809 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 31.6 p-90 -116.65 115.75 26.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.3 175.6 6.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 28.7 mt -127.01 139.87 50.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.096 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.732 HD22 ' CZ ' ' A' ' 99' ' ' PHE . 5.5 tp -65.56 139.96 97.36 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . 0.45 ' HD2' HD12 ' A' ' 163' ' ' LEU . 40.5 Cg_endo -67.33 -167.75 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.454 2.103 . . . . 0.0 112.221 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -99.92 -29.19 12.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.994 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -71.28 -25.58 62.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -93.54 17.34 11.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.411 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.91 -31.01 31.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -72.0 77.6 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.947 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 10.1 mt -102.73 133.14 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.079 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -86.0 109.95 19.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' TRP . . . . . 0.697 ' CZ3' HD21 ' A' ' 63' ' ' LEU . 86.6 m95 -78.09 -34.74 50.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.964 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.49 -177.04 6.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 40.2 t -133.72 126.48 30.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 135.77 88.1 0.25 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.549 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.78 116.65 4.66 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.631 2.22 . . . . 0.0 112.288 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 38.8 m -98.78 32.24 2.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 35.0 m -151.67 158.28 43.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.421 -1.21 . . . . 0.0 112.445 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 t 67.39 -70.03 0.12 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.729 0.3 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.7 m -131.96 113.66 13.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.45 -79.69 0.26 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.555 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.3 m 60.31 87.17 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.745 0.307 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.2 p -107.61 57.0 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.929 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.51 79.31 0.27 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.551 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.3 t -111.19 -33.57 6.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -140.72 45.17 1.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.93 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.525 ' O ' HG12 ' A' ' 10' ' ' VAL . 19.8 t -94.38 45.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -145.22 131.06 19.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -100.37 -102.49 2.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.52 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.471 ' CD2' HD13 ' A' ' 21' ' ' LEU . 4.2 m-85 -153.51 148.09 26.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.8 m -160.62 173.13 15.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.0 m120 60.6 39.76 17.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.608 HD13 HD11 ' A' ' 21' ' ' LEU . 1.6 mt -125.93 164.78 20.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -170.06 134.72 1.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.5 33.55 20.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -120.28 170.29 9.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.35 111.39 16.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.111 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.608 HD11 HD13 ' A' ' 16' ' ' LEU . 5.8 mt -106.3 171.74 7.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -151.24 126.46 9.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -115.8 141.39 48.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 ttt85 -116.71 168.61 10.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.14 -31.02 68.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.161 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.6 m -73.12 -34.06 65.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -72.45 -40.11 67.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.805 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.438 HD13 ' HG3' ' A' ' 49' ' ' PRO . 1.4 mt -84.94 -67.27 0.81 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.8 t60 58.26 51.61 8.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.993 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.426 ' HA ' ' HA ' ' A' ' 49' ' ' PRO . 21.9 mt-30 60.08 69.2 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.421 ' CZ ' HG22 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -141.93 153.83 44.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.837 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.94 138.79 58.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.514 ' HB ' HD12 ' A' ' 52' ' ' LEU . 21.5 t -112.66 116.43 52.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.0 tp -106.26 125.9 51.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.962 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.453 HD23 ' O ' ' A' ' 13' ' ' PHE . 13.1 mt -143.36 115.66 8.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 t -153.87 168.54 26.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.992 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 60.58 39.54 17.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.6 mp -111.7 168.22 9.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.55 112.83 1.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 60.72 31.46 20.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -97.38 127.72 43.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.02 133.84 37.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.6 t -139.93 142.27 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.173 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -133.08 105.07 6.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.701 HD12 ' HB2' ' A' ' 64' ' ' CYS . 10.5 mt -90.09 143.64 26.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -139.08 112.65 8.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 146.01 -152.78 24.84 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.471 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -133.42 65.34 71.96 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.776 0.322 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.438 ' HG3' HD13 ' A' ' 28' ' ' LEU . 50.9 Cg_exo -53.16 176.91 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.573 2.182 . . . . 0.0 112.334 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -86.61 -57.5 2.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -142.77 141.31 31.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.63 HD21 ' CD2' ' A' ' 62' ' ' LEU . 14.4 tp -107.59 129.65 54.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -128.25 135.45 49.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.4 tp -149.72 119.28 6.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.6 p -144.87 157.17 44.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.6 mttm 59.37 30.51 20.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.49 162.92 15.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -163.2 113.78 1.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.7 m 61.03 31.26 19.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 81.1 m -104.6 137.21 42.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -105.76 136.47 45.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.63 ' CD2' HD21 ' A' ' 52' ' ' LEU . 9.6 tp -139.81 128.1 22.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.493 HD23 ' HB3' ' A' ' 82' ' ' ALA . 1.2 mt -131.44 102.95 6.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.701 ' HB2' HD12 ' A' ' 45' ' ' LEU . 42.7 t -125.37 152.85 44.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.471 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -67.73 -179.87 15.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.484 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.529 ' HB2' HD12 ' A' ' 135' ' ' LEU . 12.4 Cg_endo -55.88 109.89 0.49 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.688 2.258 . . . . 0.0 112.199 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.483 HG22 ' N ' ' A' ' 68' ' ' SER . 12.0 p -57.5 158.6 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.256 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.483 ' N ' HG22 ' A' ' 67' ' ' VAL . 1.3 m -72.39 -51.43 20.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.925 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.6 p -104.1 -79.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.069 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.05 -179.99 7.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.976 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.485 HG12 ' N ' ' A' ' 72' ' ' PHE . 28.6 t -115.92 159.04 16.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.051 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.485 ' N ' HG12 ' A' ' 71' ' ' VAL . 81.9 m-85 -131.16 130.18 42.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.946 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.65 HD23 HG23 ' A' ' 90' ' ' ILE . 2.2 tp -131.5 140.48 49.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.831 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -165.51 137.55 4.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.97 40.0 12.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.411 ' O ' HG23 ' A' ' 93' ' ' THR . 70.7 m -111.2 140.66 45.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.6 p -151.72 136.87 17.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 59.59 33.71 22.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.572 ' HB2' HG23 ' A' ' 96' ' ' THR . 20.2 m -107.01 162.55 13.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.952 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -126.78 91.04 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.618 ' HB3' HG23 ' A' ' 98' ' ' ILE . 1.2 tp -92.58 149.3 21.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.493 ' HB3' HD23 ' A' ' 63' ' ' LEU . . . -156.13 104.47 2.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.028 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 65' ' ' GLY . 10.5 p -169.59 127.58 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.16 146.48 45.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.437 ' HB3' HG12 ' A' ' 67' ' ' VAL . 30.6 p -163.37 172.67 14.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.968 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.59 -42.13 17.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.948 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -133.02 158.53 42.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.868 HD22 HD11 ' A' ' 100' ' ' LEU . 44.0 tp -135.16 143.32 46.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.4 ttp85 -137.4 123.7 20.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.96 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.65 HG23 HD23 ' A' ' 73' ' ' LEU . 17.2 mt -128.23 154.72 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.064 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.419 ' N ' HG22 ' A' ' 90' ' ' ILE . 0.8 OUTLIER -158.69 130.85 6.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.003 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.7 m 58.91 38.02 24.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.03 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.661 ' O ' HD11 ' A' ' 114' ' ' ILE . 74.4 m -111.64 146.73 36.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.48 141.35 9.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 60.62 35.62 19.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.572 HG23 ' HB2' ' A' ' 79' ' ' CYS . 38.3 m -115.6 131.55 56.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -92.91 124.5 36.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.983 HG22 HD22 ' A' ' 100' ' ' LEU . 3.0 mp -130.94 115.72 31.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.047 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -105.92 96.93 6.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.983 HD22 HG22 ' A' ' 98' ' ' ILE . 2.5 pt? -140.07 166.97 23.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -123.73 90.66 3.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 31.0 m -71.09 135.87 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 64.8 p -104.61 -31.24 9.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.7 m -94.55 -77.14 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.934 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -163.66 171.96 14.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.422 ' HB3' HG13 ' A' ' 145' ' ' VAL . . . -129.58 139.76 51.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.067 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 31.0 mt -117.11 131.0 71.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.159 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.455 HG12 HD12 ' A' ' 90' ' ' ILE . 6.3 m -145.05 111.7 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -129.85 143.74 50.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 60.54 31.35 20.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 37.9 m -118.15 165.59 13.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -166.16 137.51 3.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.55 29.25 64.0 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.661 HD11 ' O ' ' A' ' 93' ' ' THR . 30.5 mm -80.48 156.8 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.801 0.334 . . . . 0.0 111.09 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.444 ' N ' HG22 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -117.16 120.71 39.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.41 ' HE1' HD23 ' A' ' 88' ' ' LEU . 7.7 m-85 -112.77 117.72 32.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -144.24 153.64 56.42 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.97 160.95 47.8 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.579 2.186 . . . . 0.0 112.315 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -74.61 134.79 42.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 9.9 m -143.9 104.04 4.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -164.79 65.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 23.0 m -65.36 127.16 30.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -132.8 158.29 76.16 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.17 -40.9 68.07 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.562 2.175 . . . . 0.0 112.217 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -124.27 69.44 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -107.66 -29.36 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.061 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -58.6 -28.23 65.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.16 -31.59 61.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -65.67 -44.04 87.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -68.04 -31.52 71.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -67.07 -34.39 77.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.972 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.2 m -59.98 -62.54 1.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 24.0 p -60.37 -43.01 96.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.33 28.4 8.57 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.471 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.529 HD12 ' HB2' ' A' ' 66' ' ' PRO . 11.0 mt -84.25 -179.06 7.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.776 0.322 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -118.25 137.47 53.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.931 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -93.98 -38.15 11.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 8.9 p -65.41 -40.86 93.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -77.9 128.14 33.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -139.04 150.28 45.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -158.93 37.18 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 -70.87 -31.63 68.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -63.09 -33.02 74.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -82.26 127.23 32.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.422 HG13 ' HB3' ' A' ' 106' ' ' ALA . 21.4 t -144.44 133.53 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.062 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -86.12 158.52 19.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.984 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -143.68 137.82 28.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -106.33 -41.45 5.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -60.33 -41.7 94.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 65.2 t-105 -98.63 163.26 12.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -169.51 108.28 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -155.78 149.72 25.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -55.93 21.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -138.24 77.54 1.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.51 166.22 30.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -89.77 154.03 20.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 3.6 m -110.98 100.59 47.21 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.64 64.03 1.22 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.469 2.113 . . . . 0.0 112.307 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -134.24 -46.61 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 59.8 p-90 -126.26 144.8 50.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -133.97 155.86 49.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 30.6 mt -89.59 138.51 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.665 HD23 ' HG2' ' A' ' 168' ' ' ARG . 4.2 tp -75.25 133.07 75.27 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.79 177.54 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.378 2.052 . . . . 0.0 112.253 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -95.15 47.54 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -132.35 -45.68 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.956 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.432 ' O ' HD21 ' A' ' 163' ' ' LEU . 2.0 mm-40 -98.82 30.38 3.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.042 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . 0.665 ' HG2' HD23 ' A' ' 163' ' ' LEU . 8.4 mtt180 -86.33 -45.84 10.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -95.96 74.04 3.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 2.4 mp -68.93 136.37 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.87 112.78 9.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' TRP . . . . . . . . . . . . . 20.0 m95 -98.78 30.69 3.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -122.93 147.63 46.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 92.9 p -167.42 137.91 2.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -92.84 105.28 3.28 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.468 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.28 -47.3 2.32 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.439 2.093 . . . . 0.0 112.276 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 18.8 p -176.28 40.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.953 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 9.3 m 60.72 111.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.427 -1.207 . . . . 0.0 112.499 -179.92 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -101.66 31.61 3.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 m -90.74 143.42 26.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.92 53.76 0.55 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.497 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -73.11 138.0 45.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.826 0.346 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.1 p -159.44 -45.41 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.17 -175.34 34.82 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.462 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.2 p -139.3 -178.24 5.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.801 0.334 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -168.15 -43.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.945 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.1 m -86.5 142.66 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.8 t -148.3 -53.22 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.09 -150.07 16.94 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.649 ' CG ' HD13 ' A' ' 21' ' ' LEU . 44.5 m-85 -129.98 143.6 50.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.751 0.31 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.8 p -162.68 173.12 14.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.4 m120 60.15 37.38 20.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.867 HD13 HD11 ' A' ' 21' ' ' LEU . 1.3 mt -123.21 141.64 51.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -139.55 124.14 18.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 t 60.52 32.82 20.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -110.04 171.41 7.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.8 121.68 60.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.12 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.867 HD11 HD13 ' A' ' 16' ' ' LEU . 11.7 mt -118.06 158.15 25.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.47 142.31 4.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.437 ' HZ2' ' HE2' ' A' ' 13' ' ' PHE . 13.6 mtmm -139.9 153.49 46.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -113.16 172.4 6.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.97 -31.15 69.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.056 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 m -66.29 -33.04 74.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -82.17 -54.1 5.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.787 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.2 mt -66.65 -62.66 1.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.005 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.0 t60 60.8 42.39 13.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.941 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 61.02 83.01 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -151.51 157.92 42.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -68.49 145.59 53.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -138.7 121.04 17.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.9 tp -107.93 129.33 55.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.961 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.628 ' HB2' HD12 ' A' ' 54' ' ' LEU . 1.7 mt -125.55 137.19 53.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.94 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 t -167.96 168.81 11.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 61.36 39.36 15.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.543 HD11 ' HB3' ' A' ' 35' ' ' LEU . 3.6 mt -109.94 159.62 17.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.6 t -160.47 113.69 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 60.13 30.03 19.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.018 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.2 t -97.71 146.21 25.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.13 128.85 56.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.522 ' HB ' HD12 ' A' ' 62' ' ' LEU . 21.5 t -133.69 130.34 56.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.12 100.01 4.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.3 mt -86.95 156.84 19.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -144.29 100.2 3.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 167.71 -119.4 0.84 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.552 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -168.17 84.93 0.73 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.735 0.303 . . . . 0.0 110.833 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.7 -179.92 3.7 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.524 2.15 . . . . 0.0 112.325 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.99 -62.83 1.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.57 HG23 ' OG1' ' A' ' 69' ' ' THR . 0.2 OUTLIER -140.4 106.92 5.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.652 HD21 HD21 ' A' ' 62' ' ' LEU . 59.4 tp -83.07 144.79 29.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -147.94 124.74 11.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.628 HD12 ' HB2' ' A' ' 35' ' ' LEU . 4.2 tp -128.01 121.89 30.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.8 p -144.49 158.72 43.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.998 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.5 mtmm 60.15 39.93 18.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -113.84 139.3 49.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.059 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -138.0 126.65 23.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.8 m 58.33 27.02 14.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.052 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 22.0 m -103.96 158.26 16.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -125.46 123.56 39.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.652 HD21 HD21 ' A' ' 52' ' ' LEU . 5.2 tp -122.14 132.24 54.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.498 HD23 ' HB3' ' A' ' 82' ' ' ALA . 2.8 mt -136.35 123.17 21.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.812 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 41.9 t -145.11 156.19 43.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.033 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.526 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -68.46 -179.91 19.58 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.53 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -62.27 109.92 0.94 Allowed 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.684 2.256 . . . . 0.0 112.164 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.538 HG12 ' HB3' ' A' ' 85' ' ' CYS . 11.8 p -62.67 158.49 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.116 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.485 ' N ' HG22 ' A' ' 67' ' ' VAL . 23.0 t -67.16 -53.55 29.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.956 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.57 ' OG1' HG23 ' A' ' 51' ' ' THR . 0.8 OUTLIER -97.08 -76.85 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.99 -179.93 3.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.94 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.97 HG21 HG11 ' A' ' 83' ' ' VAL . 21.5 t -122.94 159.11 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.488 ' N ' HG12 ' A' ' 71' ' ' VAL . 7.5 m-85 -125.38 157.92 35.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.831 HD13 HD22 ' A' ' 81' ' ' LEU . 2.9 tp -151.84 123.76 8.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.822 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -146.6 141.65 27.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.054 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.8 35.23 19.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.7 m -104.84 135.01 47.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.7 m -145.19 134.15 22.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 60.02 29.72 19.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.66 168.65 9.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -128.01 89.96 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.045 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.831 HD22 HD13 ' A' ' 73' ' ' LEU . 23.8 tp -87.44 139.56 30.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.498 ' HB3' HD23 ' A' ' 63' ' ' LEU . . . -153.19 103.5 2.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.04 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.97 HG11 HG21 ' A' ' 71' ' ' VAL . 12.9 p -166.57 116.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.94 139.51 58.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.042 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.538 ' HB3' HG12 ' A' ' 67' ' ' VAL . 6.0 p -163.71 177.52 8.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -90.92 -30.91 16.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.983 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -138.03 146.92 43.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.701 HD22 HD11 ' A' ' 100' ' ' LEU . 18.7 tp -140.0 117.37 11.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -105.54 116.2 31.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.698 HD11 ' CD2' ' A' ' 88' ' ' LEU . 6.9 mt -120.43 137.04 55.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.433 ' CD2' ' HB3' ' A' ' 109' ' ' GLU . 75.7 m80 -148.41 143.16 26.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.88 30.04 15.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.622 ' O ' HD11 ' A' ' 114' ' ' ILE . 56.0 m -104.01 141.4 36.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.29 140.74 17.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.3 t0 60.7 30.25 19.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.9 m -115.91 120.72 40.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.424 ' HB3' ' CE1' ' A' ' 99' ' ' PHE . 91.6 mtt180 -87.61 121.11 29.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.034 HG22 HD22 ' A' ' 100' ' ' LEU . 3.6 mp -116.03 112.6 40.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.076 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.605 ' CD2' ' HB3' ' A' ' 117' ' ' ALA . 16.4 m-85 -105.5 102.0 11.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 1.034 HD22 HG22 ' A' ' 98' ' ' ILE . 2.1 pt? -149.36 172.61 14.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.83 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -120.1 95.13 4.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.543 HG11 ' HB2' ' A' ' 106' ' ' ALA . 9.1 m -74.04 131.22 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 76.9 p -100.27 -31.33 11.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.938 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.53 -69.96 0.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -178.14 155.96 0.98 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.569 ' HB3' HG12 ' A' ' 145' ' ' VAL . . . -112.56 136.67 51.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 31.3 mt -105.21 139.16 27.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.129 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 16.8 m -144.74 147.88 18.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.433 ' HB3' ' CD2' ' A' ' 91' ' ' HIS . 1.8 tm-20 -168.52 141.05 2.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 61.34 29.89 18.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 84.5 m -106.81 173.98 6.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.974 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.5 m -169.98 118.84 0.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.09 38.97 17.32 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.529 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.622 HD11 ' O ' ' A' ' 93' ' ' THR . 25.8 mm -86.87 142.99 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.368 . . . . 0.0 111.078 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -114.54 122.47 46.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.604 ' O ' HG23 ' A' ' 162' ' ' ILE . 40.2 m-85 -112.99 109.17 18.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.605 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . . . -126.74 155.2 75.52 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.433 ' HG3' ' CE2' ' A' ' 142' ' ' TRP . 52.4 Cg_exo -54.71 161.49 5.97 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.634 2.222 . . . . 0.0 112.246 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -71.35 122.82 20.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 17.8 p -133.29 102.97 5.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.406 ' CE2' ' HB3' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -174.16 131.23 0.39 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 179.914 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.4 t 60.9 -173.63 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.455 ' O ' HG22 ' A' ' 126' ' ' ILE . 0.1 OUTLIER -179.71 -52.81 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.978 179.896 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.427 ' HD3' ' CB ' ' A' ' 123' ' ' TYR . 38.2 Cg_exo -60.33 -32.41 94.06 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.38 2.053 . . . . 0.0 112.285 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -133.35 52.37 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.455 HG22 ' O ' ' A' ' 123' ' ' TYR . 5.9 tp -109.92 -36.28 2.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -62.97 -30.4 71.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -67.11 -31.78 72.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -70.86 -50.0 40.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -60.8 -31.75 71.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -77.33 -37.25 52.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 74.2 m -63.36 -55.38 24.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.2 -42.01 97.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 102.09 28.6 6.44 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.568 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 8.6 mt -91.95 179.6 5.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.756 0.313 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.19 144.63 32.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 52.7 mtm180 -101.13 -38.61 8.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 67.4 m -86.93 -40.09 15.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.04 90.43 3.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -158.52 157.41 32.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.813 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.445 ' O ' HG23 ' A' ' 102' ' ' VAL . 1.1 t30 -149.73 100.91 3.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' TRP . . . . . 0.433 ' CE2' ' HG3' ' A' ' 118' ' ' PRO . 57.3 p-90 -100.51 30.54 3.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -135.03 31.71 3.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -163.82 105.94 0.94 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.569 HG12 ' HB3' ' A' ' 106' ' ' ALA . 28.6 m -125.08 169.42 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -102.39 115.69 31.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -92.6 147.91 22.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -100.8 -61.76 1.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -79.72 72.05 6.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -82.47 120.98 26.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.3 mt -123.1 30.4 6.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 156' ' ' ALA . . . -141.3 160.77 39.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.109 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.89 -7.01 11.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.335 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.37 28.2 3.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.771 0.32 . . . . 0.0 111.012 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 1.2 ttt 57.27 40.19 28.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.053 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.458 ' O ' ' HB3' ' A' ' 152' ' ' ALA . . . -125.06 143.54 50.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 17.7 m -131.34 87.98 45.55 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -68.68 65.0 1.23 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.542 2.161 . . . . 0.0 112.281 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -135.88 -48.93 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.799 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 66.8 p-90 -117.49 134.06 55.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 7.3 m -112.99 179.97 3.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . 0.604 HG23 ' O ' ' A' ' 116' ' ' PHE . 32.9 mt -117.68 139.57 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.452 HD12 ' HD2' ' A' ' 164' ' ' PRO . 14.6 tp -68.52 137.63 90.97 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.824 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . 0.452 ' HD2' HD12 ' A' ' 163' ' ' LEU . 51.5 Cg_endo -69.1 -174.79 0.83 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.457 2.104 . . . . 0.0 112.25 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -102.07 31.61 3.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -113.18 -36.64 4.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -113.3 34.63 4.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -62.16 1.73 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -77.25 113.41 14.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 1.8 mp -113.53 138.65 42.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -67.11 -178.18 0.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' TRP . . . . . . . . . . . . . 78.7 m95 -150.6 88.95 1.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.97 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.76 123.7 33.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 19.1 t -88.67 142.83 27.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -170.32 134.89 3.3 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.357 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.22 -62.09 0.34 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.521 2.147 . . . . 0.0 112.315 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.72 -32.5 16.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.8 m 60.97 97.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.341 -1.255 . . . . 0.0 112.424 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.159 0 N-CA-C 112.567 -0.213 . . . . 0.0 112.567 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -108.15 -177.3 3.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.96 121.42 26.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.45 32.3 57.94 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.431 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.4 p -155.88 174.33 15.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.878 0.371 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.75 -49.81 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.93 177.78 48.19 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.555 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m -168.0 62.43 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.927 0.394 . . . . 0.0 110.813 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.408 ' CZ2' ' HD2' ' A' ' 31' ' ' ARG . 0.9 OUTLIER -55.0 -29.1 56.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.5 m -90.27 111.94 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.18 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 48.8 t -160.57 -51.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.82 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.81 176.11 21.06 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -101.25 131.53 47.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.824 0.345 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.55 171.27 20.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 62.99 32.94 15.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.507 ' HB2' HD23 ' A' ' 38' ' ' LEU . 11.7 mt -123.45 172.82 8.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -169.86 135.39 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.5 p 58.53 34.39 23.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.988 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -110.31 171.5 7.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.29 103.09 10.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.042 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.9 mt -92.57 170.36 9.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -168.63 134.56 1.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -136.19 167.37 21.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.16 175.82 10.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.5 -41.41 89.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.189 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.6 t -62.01 -31.34 71.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -88.55 -37.98 15.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.947 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mt -86.08 -70.62 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 61.47 50.43 4.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 60.31 80.08 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.963 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.408 ' HD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.5 mmt180 -144.47 169.04 18.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -76.37 132.33 39.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -122.34 129.12 75.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 29.4 tp -131.79 133.76 45.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.658 ' HB2' HD12 ' A' ' 54' ' ' LEU . 3.1 mt -134.27 113.06 11.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.5 t -145.67 166.73 24.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 60.23 34.95 20.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.507 HD23 ' HB2' ' A' ' 16' ' ' LEU . 2.9 mt -119.87 150.99 39.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.974 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.3 125.04 12.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.863 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 60.79 31.07 20.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 24.3 t -110.18 117.86 34.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.495 HG23 ' HB2' ' A' ' 61' ' ' LYS . 4.1 m -87.51 145.58 26.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -135.49 135.86 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.129 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.8 mtp85 -128.86 109.81 11.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.62 HD12 ' HB3' ' A' ' 64' ' ' CYS . 3.1 mt -109.16 136.24 48.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -133.5 102.21 5.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 172.09 -109.46 0.31 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.534 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -176.2 66.19 0.23 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.869 0.366 . . . . 0.0 110.841 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.5 167.07 0.62 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.63 2.22 . . . . 0.0 112.299 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -77.78 -62.7 1.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -144.7 110.76 5.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.849 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.599 ' HB3' HG22 ' A' ' 71' ' ' VAL . 13.5 tp -72.6 153.54 41.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.0 ttm-85 -159.11 118.99 3.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.658 HD12 ' HB2' ' A' ' 35' ' ' LEU . 5.6 tp -126.33 125.09 41.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.751 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.8 p -148.0 154.37 40.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.977 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.7 mmtt 59.34 35.73 23.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.966 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.09 142.51 35.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.059 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -144.86 127.64 16.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.5 m 58.79 30.24 19.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.033 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.2 m -113.12 141.27 47.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.495 ' HB2' HG23 ' A' ' 42' ' ' THR . 19.3 mtmt -105.58 129.31 53.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.674 HD23 ' CD1' ' A' ' 81' ' ' LEU . 17.8 tp -120.01 128.03 53.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mt -138.69 120.68 15.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.811 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.62 ' HB3' HD12 ' A' ' 45' ' ' LEU . 28.0 p -155.01 163.27 40.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.427 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -69.48 -179.97 24.34 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.439 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.408 ' HG3' ' CD1' ' A' ' 130' ' ' PHE . 22.7 Cg_endo -61.23 126.33 19.12 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.621 2.214 . . . . 0.0 112.274 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.4 HG12 ' HB3' ' A' ' 85' ' ' CYS . 11.7 p -67.96 149.05 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.133 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 m -60.27 -52.88 63.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.1 -78.79 0.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.79 179.97 7.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.759 HG21 HG11 ' A' ' 83' ' ' VAL . 21.7 t -121.88 158.66 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.485 ' N ' HG12 ' A' ' 71' ' ' VAL . 63.4 m-85 -134.89 131.38 37.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.415 HD23 HG23 ' A' ' 90' ' ' ILE . 3.8 tp -122.38 140.3 52.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.803 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -164.12 136.16 4.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.978 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.27 40.05 9.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 53.4 m -113.74 135.93 53.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.8 p -146.99 136.54 22.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.792 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 60.03 37.07 21.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.75 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -114.82 156.77 24.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.78 89.96 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.023 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.674 ' CD1' HD23 ' A' ' 62' ' ' LEU . 21.4 tp -84.34 150.31 25.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.006 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -155.18 102.26 2.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.962 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.759 HG11 HG21 ' A' ' 71' ' ' VAL . 11.1 p -164.23 119.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.159 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.91 107.39 4.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.175 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.4 ' HB3' HG12 ' A' ' 67' ' ' VAL . 24.8 p -128.83 147.87 50.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -59.14 -44.62 92.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -131.03 146.86 52.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.641 ' CD2' HD11 ' A' ' 90' ' ' ILE . 10.3 tp -130.46 129.29 42.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.26 111.1 17.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.641 HD11 ' CD2' ' A' ' 88' ' ' LEU . 4.5 mt -110.2 155.13 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.036 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.432 ' N ' HG22 ' A' ' 90' ' ' ILE . 58.2 t-80 -167.94 140.24 3.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.3 m 57.29 31.06 19.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 30.5 m -102.89 139.94 37.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.963 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 46.4 tttm -146.75 128.16 14.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.01 39.07 20.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.0 m -113.88 113.18 24.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 51.5 mtt85 -80.0 125.52 29.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.982 HG22 HD22 ' A' ' 100' ' ' LEU . 1.7 mp -123.49 112.57 33.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.18 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.57 ' CZ ' HD13 ' A' ' 163' ' ' LEU . 22.5 m-85 -105.77 92.04 4.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.982 HD22 HG22 ' A' ' 98' ' ' ILE . 2.5 pt? -134.6 175.77 9.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.992 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -126.94 89.93 3.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.793 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.77 HG23 ' O ' ' A' ' 141' ' ' ASN . 8.9 m -77.82 135.87 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 17.2 p -105.69 -31.58 8.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.01 -72.81 0.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -173.3 170.84 4.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -131.93 143.57 50.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.012 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 6.7 mt -119.54 149.65 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 108' ' ' VAL . 17.2 m -146.8 117.56 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.401 ' OE2' ' CD2' ' A' ' 148' ' ' PHE . 9.8 mt-10 -125.41 129.31 49.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.3 t70 61.12 31.53 19.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 21.9 m -104.31 166.49 10.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.97 143.03 2.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 61.61 34.33 88.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.543 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 28.6 mm -85.36 140.9 15.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 0.0 111.102 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.4 111.81 22.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -96.24 151.61 19.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -168.47 154.9 6.96 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.92 177.23 5.9 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.547 2.164 . . . . 0.0 112.266 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.413 ' CE2' ' HB3' ' A' ' 121' ' ' TRP . 9.6 t80 -80.0 103.64 10.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 7.2 t -96.76 41.23 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.413 ' HB3' ' CE2' ' A' ' 119' ' ' TYR . 0.0 OUTLIER -131.25 130.65 43.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.871 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.9 t -136.83 156.44 48.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -153.73 165.39 17.92 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.39 -28.31 53.05 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.552 2.168 . . . . 0.0 112.284 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -125.24 63.91 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 9.4 tp -95.48 -30.69 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -73.93 -21.42 60.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.176 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -75.15 -32.27 61.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.863 0.363 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -65.71 -44.9 84.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.408 ' CD1' ' HG3' ' A' ' 66' ' ' PRO . 5.9 m-85 -67.81 -31.16 70.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -74.05 -39.13 63.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.3 m -60.19 -45.37 93.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 58.8 p -81.54 -31.11 32.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 99.37 28.27 7.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.5 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 85.9 mt -94.66 156.86 16.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.828 0.347 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -100.5 157.03 16.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.35 -32.17 10.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.72 -46.77 88.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -60.42 122.55 14.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -142.37 85.89 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.923 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.77 ' O ' HG23 ' A' ' 102' ' ' VAL . 0.6 OUTLIER -113.55 84.33 2.0 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 38.3 p-90 -105.97 35.07 3.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -126.47 -43.04 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -56.62 108.76 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.113 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 9.5 p -143.32 146.34 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -105.43 121.29 43.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.05 125.04 44.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.401 ' CD2' ' OE2' ' A' ' 109' ' ' GLU . 34.5 m-85 -111.24 39.06 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -138.54 -48.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -118.57 132.47 56.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.49 93.07 6.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -108.08 105.38 15.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.113 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -111.07 27.73 9.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.71 -44.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.855 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 20.9 ptp -89.38 -173.94 4.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -90.84 154.35 19.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 3.1 t -103.4 94.31 5.73 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -68.75 63.54 1.26 Allowed 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.478 2.119 . . . . 0.0 112.343 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -135.84 -47.19 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 14.9 p-90 -120.86 144.59 48.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.796 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -138.27 155.28 48.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.99 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 7.1 mt -91.38 146.57 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.992 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.583 HD22 ' HG2' ' A' ' 168' ' ' ARG . 2.2 tt -75.08 133.86 75.01 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . 0.565 ' O ' HD23 ' A' ' 163' ' ' LEU . 72.7 Cg_endo -76.58 154.51 35.26 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.523 2.148 . . . . 0.0 112.363 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 19.9 mp0 -65.86 -30.17 70.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -67.04 -27.44 67.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.038 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.505 ' O ' HD21 ' A' ' 163' ' ' LEU . 40.4 mt-10 -104.77 28.74 6.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.145 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . 0.583 ' HG2' HD22 ' A' ' 163' ' ' LEU . 19.9 mtm180 -105.91 32.86 4.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.978 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -101.08 88.45 3.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' ILE . . . . . 0.417 ' HB ' ' CZ2' ' A' ' 172' ' ' TRP . 21.4 mt -109.28 139.07 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.073 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -80.35 114.59 19.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' TRP . . . . . 0.417 ' CZ2' ' HB ' ' A' ' 170' ' ' ILE . 23.5 m95 -98.09 -47.81 5.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -166.08 -43.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 85.2 p -104.31 39.56 1.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.847 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -67.13 143.94 43.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.462 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.39 60.53 5.75 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.607 2.205 . . . . 0.0 112.407 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.68 -53.57 0.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.74 139.24 45.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.421 -1.21 . . . . 0.0 112.456 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -81.08 159.8 24.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.788 0.328 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.4 p -148.94 31.5 0.78 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.3 58.17 0.47 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 p -154.3 155.19 34.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.779 0.323 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -63.89 121.46 14.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.66 171.85 27.16 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.1 t -111.89 85.97 2.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.831 0.348 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 28.5 m95 -115.64 -74.48 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.2 m -73.6 150.4 7.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.598 ' HB2' HG13 ' A' ' 33' ' ' VAL . 72.3 m -104.96 171.42 7.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 163.83 114.92 0.31 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.463 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.522 ' CD1' HD11 ' A' ' 16' ' ' LEU . 4.5 m-85 -139.28 115.06 10.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 0.0 110.847 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.4 m -143.11 169.43 17.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 61.29 31.32 19.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.522 HD11 ' CD1' ' A' ' 13' ' ' PHE . 23.5 mt -112.72 157.23 21.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -158.35 132.52 7.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.1 m 60.35 35.95 20.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.473 ' NE2' HD22 ' A' ' 16' ' ' LEU . 9.7 mt-30 -116.04 169.05 9.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.6 t -129.05 110.98 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.492 HD13 ' CD2' ' A' ' 13' ' ' PHE . 7.0 mt -108.9 142.76 39.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.35 134.28 29.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -126.69 161.19 28.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.684 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -123.7 172.98 8.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.27 -30.57 71.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.138 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.56 -31.75 63.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -74.06 -35.8 64.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.684 HD12 ' O ' ' A' ' 24' ' ' ARG . 1.1 mp -95.19 -70.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 60.61 50.04 6.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.97 89.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 -155.65 170.1 22.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -75.18 133.18 41.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.598 HG13 ' HB2' ' A' ' 11' ' ' CYS . 21.8 t -128.77 148.06 33.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.188 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.0 tp -142.19 132.59 25.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.521 ' HB2' HD12 ' A' ' 54' ' ' LEU . 1.4 mt -142.57 112.76 7.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.7 t -143.62 169.97 16.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 61.04 39.14 16.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 75.9 mt -107.64 145.54 33.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.1 m -145.58 114.72 7.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 61.62 30.99 18.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.1 t -101.77 134.3 45.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.4 m -102.86 127.72 49.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.59 ' HB ' HD12 ' A' ' 62' ' ' LEU . 21.4 t -132.74 141.21 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.5 mtt-85 -132.57 104.18 6.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.665 HD12 ' HB2' ' A' ' 64' ' ' CYS . 53.5 mt -90.57 125.69 35.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -121.92 109.35 14.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 155.07 -114.68 0.62 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.435 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -175.95 79.1 0.29 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.331 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.49 ' HG3' HD22 ' A' ' 28' ' ' LEU . 45.7 Cg_exo -56.26 -173.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.57 2.18 . . . . 0.0 112.331 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -105.41 -47.26 3.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.34 99.99 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.529 ' HB3' HG22 ' A' ' 71' ' ' VAL . 46.5 tp -77.19 140.68 40.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.14 111.16 5.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.815 HD13 HD22 ' A' ' 62' ' ' LEU . 5.9 tp -116.31 132.24 56.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.8 p -152.79 155.35 36.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.964 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.71 36.87 22.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.52 142.23 34.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -143.74 120.57 11.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.5 m 59.69 29.52 19.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.963 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 59.3 m -105.87 152.75 22.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -117.9 126.96 53.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.836 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.815 HD22 HD13 ' A' ' 54' ' ' LEU . 10.5 tp -125.29 113.31 17.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.722 HD11 ' CE3' ' A' ' 172' ' ' TRP . 5.8 mt -115.73 104.89 12.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.776 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.665 ' HB2' HD12 ' A' ' 45' ' ' LEU . 51.2 t -131.85 153.56 50.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.038 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.559 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -72.76 -179.83 36.5 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.458 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -56.9 109.78 0.5 Allowed 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.666 2.244 . . . . 0.0 112.086 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.474 HG22 ' N ' ' A' ' 68' ' ' SER . 11.5 p -57.38 158.14 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.186 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.474 ' N ' HG22 ' A' ' 67' ' ' VAL . 42.8 t -63.7 -54.21 39.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -104.78 -76.63 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.67 -179.98 7.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.947 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.529 HG22 ' HB3' ' A' ' 52' ' ' LEU . 21.3 t -124.67 158.66 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.479 ' N ' HG12 ' A' ' 71' ' ' VAL . 12.5 m-85 -132.75 139.89 47.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.463 HD13 HD22 ' A' ' 81' ' ' LEU . 6.9 tp -130.28 143.13 50.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -165.03 140.46 5.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 62.2 39.07 13.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 65.4 m -112.0 132.48 54.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.2 m -141.94 134.0 27.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.961 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 60.68 35.78 19.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.612 ' H ' HG23 ' A' ' 96' ' ' THR . 0.5 OUTLIER -109.67 175.42 5.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.6 t -143.6 89.99 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.123 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.463 HD22 HD13 ' A' ' 73' ' ' LEU . 54.2 tp -88.08 139.22 30.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -141.92 98.69 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 65' ' ' GLY . 11.8 p -165.98 130.62 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.71 144.54 50.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.066 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.48 ' O ' HG12 ' A' ' 102' ' ' VAL . 4.0 p -166.38 142.53 4.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -55.63 -52.29 64.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.83 141.6 51.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.454 HD21 HD11 ' A' ' 90' ' ' ILE . 11.3 tp -121.52 131.42 54.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -118.13 126.21 51.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.686 ' HB ' HG12 ' A' ' 108' ' ' VAL . 22.4 mt -127.19 155.08 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.086 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.432 ' CD2' ' HB2' ' A' ' 109' ' ' GLU . 2.9 t-80 -165.13 134.47 3.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.981 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.5 m 59.71 31.57 20.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.927 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.74 ' O ' HD11 ' A' ' 114' ' ' ILE . 28.2 m -105.68 141.21 37.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.58 139.28 13.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 59.74 31.47 20.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.612 HG23 ' H ' ' A' ' 79' ' ' CYS . 11.8 m -115.57 128.06 55.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 65.9 mtt-85 -83.35 148.47 27.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.859 HG22 HD22 ' A' ' 100' ' ' LEU . 15.4 mt -150.44 115.51 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.159 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -112.95 99.96 8.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.859 HD22 HG22 ' A' ' 98' ' ' ILE . 2.4 pt? -143.34 -179.97 6.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -134.86 99.87 4.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.767 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 141' ' ' ASN . 10.3 m -93.52 136.67 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.29 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 60.4 p -96.78 -33.42 11.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.86 -75.96 0.35 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.504 HH21 HD11 ' A' ' 107' ' ' ILE . 6.4 ptt-85 -177.84 171.17 1.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -125.33 145.18 50.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.971 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.504 HD11 HH21 ' A' ' 105' ' ' ARG . 26.0 mt -121.59 150.44 24.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.243 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.686 HG12 ' HB ' ' A' ' 90' ' ' ILE . 15.5 m -148.25 139.97 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.432 ' HB2' ' CD2' ' A' ' 91' ' ' HIS . 21.7 mt-10 -136.04 129.17 31.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.963 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.17 32.7 22.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 66.1 m -100.48 157.15 16.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 42.4 m -159.94 126.63 4.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.64 36.15 54.22 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.508 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.74 HD11 ' O ' ' A' ' 93' ' ' THR . 28.8 mm -81.95 158.75 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.853 0.359 . . . . 0.0 111.088 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.47 ' N ' HG22 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -118.24 132.67 56.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.607 ' O ' HG23 ' A' ' 162' ' ' ILE . 57.5 m-85 -130.79 100.17 5.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.8 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -127.48 155.1 77.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.406 ' HG3' ' CZ2' ' A' ' 142' ' ' TRP . 52.9 Cg_exo -52.43 175.14 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.568 2.179 . . . . 0.0 112.308 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -84.9 116.83 23.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 58.1 p -104.59 97.27 7.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -176.71 97.08 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.18 159.06 15.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.45 ' CG ' ' HD2' ' A' ' 124' ' ' PRO . 0.0 OUTLIER -179.84 148.9 0.5 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.45 ' HD2' ' CG ' ' A' ' 123' ' ' TYR . 30.4 Cg_endo -63.48 -27.16 70.22 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.529 2.153 . . . . 0.0 112.266 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -110.87 36.36 3.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.832 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.427 HG22 ' O ' ' A' ' 123' ' ' TYR . 3.9 tp -83.42 -35.21 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.81 -32.21 59.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -44.35 90.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.24 -41.82 99.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.415 ' CE2' ' HG3' ' A' ' 137' ' ' ARG . 2.6 m-85 -59.75 -32.41 70.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -71.88 -47.12 55.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.6 m -60.41 -31.39 70.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 5.9 p -76.14 -52.57 9.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 112.69 27.78 3.69 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.466 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 87.3 mt -111.17 161.77 15.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.814 0.34 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -118.01 154.15 32.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.415 ' HG3' ' CE2' ' A' ' 130' ' ' PHE . 14.1 mtp180 -117.36 29.73 7.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.7 t -121.62 25.73 9.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.055 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -120.31 -67.05 1.01 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.822 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 35.6 m120 60.91 112.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.989 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.595 ' O ' HG23 ' A' ' 102' ' ' VAL . 3.7 m120 -146.17 54.1 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.837 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' TRP . . . . . 0.406 ' CZ2' ' HG3' ' A' ' 118' ' ' PRO . 36.9 p-90 -99.48 30.78 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.807 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -119.1 -41.19 2.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.71 129.1 34.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 15.5 m -142.79 176.94 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -125.28 112.87 16.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -72.6 164.32 26.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -163.47 36.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -159.77 -45.44 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 43.6 t-105 -115.12 135.15 54.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 9.2 mt -83.35 161.21 21.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -128.5 111.85 13.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.7 -54.44 1.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -129.51 -45.89 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.8 165.35 24.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -76.42 -175.2 3.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 8.2 t -121.63 93.73 48.62 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.61 -7.14 20.6 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.55 2.167 . . . . 0.0 112.729 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -52.89 -30.47 34.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.762 0.315 . . . . 0.0 111.097 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 30.3 p-90 -148.9 129.05 13.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.74 143.42 50.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . 0.607 HG23 ' O ' ' A' ' 116' ' ' PHE . 31.5 mt -92.04 138.23 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 4.9 tp -76.29 134.97 69.86 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.2 177.11 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.465 2.11 . . . . 0.0 112.213 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -98.44 28.71 3.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -115.92 -35.65 4.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -97.49 35.51 1.63 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -89.39 -31.15 17.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -70.04 97.25 1.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 4.1 mt -123.74 118.15 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.052 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.18 105.32 4.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' TRP . . . . . 0.722 ' CE3' HD11 ' A' ' 63' ' ' LEU . 91.3 m95 -69.89 -45.47 67.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -62.24 144.07 56.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 1.3 m -162.6 109.6 1.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 99.62 115.79 3.75 Favored Glycine 0 CA--C 1.519 0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.374 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -51.15 134.83 44.5 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.441 2.094 . . . . 0.0 112.403 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 2.6 t -159.42 -46.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 97.6 p -167.34 85.88 0.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.43 -1.206 . . . . 0.0 112.465 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 N-CA-C 112.555 -0.218 . . . . 0.0 112.555 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 p -146.39 -48.54 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 110.938 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.54 118.59 13.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.19 155.94 15.31 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.537 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.6 m -74.72 154.72 38.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.93 -53.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.5 73.96 0.15 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.7 m -79.22 -44.2 22.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.791 0.329 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -99.54 92.6 5.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.806 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.37 89.17 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -109.36 119.73 40.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -138.38 138.86 9.82 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.515 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -102.73 115.6 30.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.3 p -142.27 174.55 10.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 60.53 31.1 20.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.935 HD13 HD11 ' A' ' 21' ' ' LEU . 1.3 mt -113.48 149.47 34.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.2 mp0 -154.26 129.49 9.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.2 m 60.8 38.17 18.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.768 ' NE2' HD23 ' A' ' 16' ' ' LEU . 9.8 mt-30 -119.96 171.44 8.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.6 t -122.1 103.77 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.085 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.935 HD11 HD13 ' A' ' 16' ' ' LEU . 23.1 mt -101.83 142.39 33.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -141.85 147.99 38.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -133.96 176.63 8.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.979 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.23 159.82 42.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.53 ' HB2' ' CA ' ' A' ' 47' ' ' GLY . . . -62.72 -35.32 79.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.7 t -60.33 -33.2 72.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.94 -44.7 10.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.9 mt -67.6 -60.7 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 60.44 45.21 11.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 61.27 80.74 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.2 mtt85 -149.77 158.51 44.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -63.17 148.99 46.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.06 128.32 71.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 tp -116.51 122.66 45.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.421 HD13 HD11 ' A' ' 62' ' ' LEU . 5.4 mt -138.84 111.77 7.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.7 t -150.18 173.86 13.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 60.3 37.48 20.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.955 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.416 HD22 ' HB2' ' A' ' 16' ' ' LEU . 38.1 mt -110.69 149.01 31.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 m -149.53 119.22 7.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 59.45 29.65 19.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.004 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 51.3 t -109.1 149.51 29.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 p -109.91 141.06 43.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.608 ' HB ' HD12 ' A' ' 62' ' ' LEU . 22.0 t -143.37 136.7 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.696 ' HG2' HD12 ' A' ' 63' ' ' LEU . 1.4 mpt_? -138.98 103.72 4.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.2 mt -87.9 140.02 29.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -124.6 135.39 53.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.53 ' CA ' ' HB2' ' A' ' 25' ' ' ALA . . . 129.23 -112.8 1.41 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.457 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -176.5 85.87 0.27 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 120.747 0.308 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.56 171.57 15.08 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.573 2.182 . . . . 0.0 112.308 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -88.01 -48.75 7.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.6 117.71 8.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.683 HD21 ' CD2' ' A' ' 62' ' ' LEU . 32.5 tp -95.17 123.78 38.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.788 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -125.73 126.52 44.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.442 HD22 ' CD1' ' A' ' 81' ' ' LEU . 4.1 tp -132.07 120.99 23.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.821 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.5 p -146.52 157.3 43.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.944 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt 60.25 37.94 20.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.79 140.61 36.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.057 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -141.61 119.69 12.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.6 m 59.32 27.19 16.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.078 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 13.8 m -106.88 159.09 16.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -124.08 149.98 45.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.817 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.683 ' CD2' HD21 ' A' ' 52' ' ' LEU . 4.4 tp -141.72 127.71 19.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.696 HD12 ' HG2' ' A' ' 44' ' ' ARG . 9.5 mt -131.52 99.99 5.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.737 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 53.0 t -124.37 156.26 37.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.07 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.598 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -72.31 -179.73 34.68 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.448 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.405 ' HG3' ' CE1' ' A' ' 130' ' ' PHE . 12.2 Cg_endo -55.76 111.75 0.86 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.643 2.229 . . . . 0.0 112.19 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.484 HG22 ' N ' ' A' ' 68' ' ' SER . 12.1 p -61.69 158.72 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.113 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.484 ' N ' HG22 ' A' ' 67' ' ' VAL . 2.7 t -70.39 -51.89 26.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.32 -76.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.27 178.52 7.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.558 HG21 ' CG1' ' A' ' 83' ' ' VAL . 21.8 t -120.48 141.29 41.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.008 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -117.45 123.85 47.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.978 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.522 HD21 ' HB2' ' A' ' 76' ' ' CYS . 0.7 OUTLIER -122.43 133.81 54.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -155.58 142.76 19.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 61.02 39.8 15.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.946 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.522 ' HB2' HD21 ' A' ' 73' ' ' LEU . 49.4 m -112.02 135.03 53.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.57 138.1 28.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.974 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 59.28 29.27 18.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.582 ' HB2' HG23 ' A' ' 96' ' ' THR . 69.7 m -106.32 157.38 17.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.4 t -125.05 89.94 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.964 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.442 ' CD1' HD22 ' A' ' 54' ' ' LEU . 2.6 tp -83.84 150.18 25.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -152.61 99.1 2.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.093 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 65' ' ' GLY . 11.0 p -169.14 128.96 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.96 141.63 40.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.5 p -153.82 167.15 30.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.15 -31.87 38.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -150.31 130.79 13.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.43 HD23 HD11 ' A' ' 90' ' ' ILE . 34.2 tp -103.54 144.04 31.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.947 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -128.56 104.92 7.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.723 ' HB ' HG12 ' A' ' 108' ' ' VAL . 9.6 mt -109.33 147.64 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.064 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -160.32 130.96 5.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.975 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 m 59.77 31.68 20.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.5 m -101.67 149.09 24.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.25 131.76 5.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 59.2 35.78 23.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.582 HG23 ' HB2' ' A' ' 79' ' ' CYS . 60.4 m -113.36 111.87 22.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -69.91 121.2 16.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.965 HG22 HD22 ' A' ' 100' ' ' LEU . 22.9 mt -125.5 104.3 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -98.51 108.15 20.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.965 HD22 HG22 ' A' ' 98' ' ' ILE . 2.2 pt? -151.97 179.97 8.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.977 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -138.48 90.06 2.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.807 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 16.6 m -80.52 144.31 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 75.6 p -107.68 -29.46 9.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.7 m -93.9 -76.75 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.1 mtt85 -166.33 172.7 10.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.963 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.663 ' HB3' HG12 ' A' ' 145' ' ' VAL . . . -134.69 113.25 11.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.039 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.523 HG23 ' CE1' ' A' ' 148' ' ' PHE . 2.7 mp -81.88 139.04 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.723 HG12 ' HB ' ' A' ' 90' ' ' ILE . 7.0 m -145.33 122.0 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.086 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -125.64 131.99 52.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.85 31.41 21.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 62.5 m -96.16 148.94 22.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.24 134.37 11.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.923 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.41 36.03 92.69 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.559 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 28.1 mm -78.24 138.99 19.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.847 0.356 . . . . 0.0 111.05 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.445 ' NE2' HD13 ' A' ' 163' ' ' LEU . 0.0 OUTLIER -99.84 100.38 11.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.837 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -96.9 133.08 42.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.472 ' HB1' ' HD2' ' A' ' 118' ' ' PRO . . . -156.97 158.45 31.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.472 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 53.9 Cg_endo -69.48 150.79 70.34 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.503 2.135 . . . . 0.0 112.338 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -60.24 148.12 37.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 29.7 m -143.11 91.48 2.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -175.26 98.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.4 m -104.42 146.81 28.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.958 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.44 ' CG ' ' HD2' ' A' ' 124' ' ' PRO . 0.2 OUTLIER -132.5 161.06 65.52 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.757 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' A' ' 123' ' ' TYR . 41.5 Cg_endo -67.59 -26.93 39.4 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.589 2.193 . . . . 0.0 112.211 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -127.29 39.65 3.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.784 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.448 HD11 ' HE1' ' A' ' 130' ' ' PHE . 2.5 tt -83.13 -26.93 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.196 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.56 -30.42 60.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.09 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -78.58 -31.07 47.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.794 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.66 -49.85 67.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.448 ' HE1' HD11 ' A' ' 126' ' ' ILE . 7.0 m-85 -62.77 -32.48 73.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -70.11 -46.03 65.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.2 m -65.64 -35.84 81.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.2 p -76.95 -31.92 56.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.86 28.45 38.06 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.521 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 12.5 mt -79.23 -178.72 6.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.78 0.324 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.65 147.66 43.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -132.56 46.46 2.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.755 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 7.6 t -152.61 -44.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.03 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -50.9 -75.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.168 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 6.6 m120 59.79 109.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -151.9 34.79 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 59.5 p-90 -59.09 -28.66 66.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.032 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -60.06 -32.61 71.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.938 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.94 126.2 33.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.663 HG12 ' HB3' ' A' ' 106' ' ' ALA . 7.2 m -143.93 144.44 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -92.62 119.37 31.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -98.76 120.99 40.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.523 ' CE1' HG23 ' A' ' 107' ' ' ILE . 38.6 m-85 -100.15 31.36 3.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -127.16 -48.43 1.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 26.8 t-105 -125.63 102.04 7.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.47 135.74 57.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -74.78 105.45 5.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -111.41 -74.63 0.64 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -125.83 -44.96 1.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 6.6 mmm -98.42 141.95 30.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -66.6 163.18 19.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 31.4 m -103.15 92.93 4.12 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -68.67 63.64 1.23 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.517 2.145 . . . . 0.0 112.283 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -100.22 -59.54 1.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 47.5 p-90 -99.52 173.73 6.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.788 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.62 158.81 43.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.949 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 23.0 mt -103.86 152.52 6.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.07 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.682 HD21 ' O ' ' A' ' 167' ' ' GLU . 27.3 tp -87.03 115.59 63.12 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.11 -175.3 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.371 2.047 . . . . 0.0 112.339 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.49 63.04 2.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.813 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -153.37 -44.58 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.682 ' O ' HD21 ' A' ' 163' ' ' LEU . 4.8 mt-10 -98.0 31.03 2.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . 0.67 ' O ' HD12 ' A' ' 170' ' ' ILE . 4.9 mtm180 -88.83 -28.61 20.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.939 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -80.18 107.2 12.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' ILE . . . . . 0.67 HD12 ' O ' ' A' ' 168' ' ' ARG . 3.1 mp -120.2 131.59 72.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 10.0 pm0 -71.88 102.63 2.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' TRP . . . . . . . . . . . . . 26.0 m95 -79.45 -53.66 6.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -133.69 98.89 4.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.89 -64.2 1.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . 73.21 140.05 0.42 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.523 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.52 -168.29 0.52 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.556 2.17 . . . . 0.0 112.37 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.15 54.19 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -100.01 122.91 43.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.359 -1.245 . . . . 0.0 112.461 179.96 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 p -111.27 -61.62 1.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 0.0 110.931 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -112.73 -178.31 3.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.2 -85.0 0.26 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.513 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.19 128.08 36.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.834 0.35 . . . . 0.0 110.85 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 t -168.29 -178.74 3.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.66 177.14 45.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.445 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.7 p -96.18 177.06 5.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.802 0.334 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 79.9 m95 -85.28 159.42 20.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.5 t 61.13 78.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.3 t -163.77 113.99 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -96.65 -151.41 27.96 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.515 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -117.38 150.24 39.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.799 0.333 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 72.1 p -169.44 167.83 9.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.0 m120 60.76 34.12 19.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.648 HD22 ' NE2' ' A' ' 19' ' ' GLN . 25.5 mt -116.33 141.5 48.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -142.01 133.6 26.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.7 m 59.83 31.54 20.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.648 ' NE2' HD22 ' A' ' 16' ' ' LEU . 4.4 mt-30 -108.83 172.16 7.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.05 109.57 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.649 HD12 HG22 ' A' ' 43' ' ' VAL . 16.5 mt -99.58 142.56 30.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -139.49 137.01 35.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.601 ' HD2' HD21 ' A' ' 28' ' ' LEU . 9.6 mttm -140.98 150.68 43.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -121.95 179.98 4.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.62 -35.5 72.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.57 -34.74 67.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.32 -30.71 54.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.601 HD21 ' HD2' ' A' ' 23' ' ' LYS . 61.7 mt -84.0 -59.81 2.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 64.87 31.76 11.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.734 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 62.0 77.62 0.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.948 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.42 177.28 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.93 137.4 36.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.959 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -120.66 106.43 18.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.082 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.0 tp -93.34 124.92 37.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.456 ' HB3' HD11 ' A' ' 38' ' ' LEU . 25.4 mt -136.95 107.68 6.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.0 t -148.35 168.14 23.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.963 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 60.0 39.38 20.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.456 HD11 ' HB3' ' A' ' 35' ' ' LEU . 1.0 OUTLIER -111.04 173.53 6.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.2 m -170.0 113.8 0.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 63.21 35.77 12.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.5 t -109.5 120.17 41.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.29 141.48 30.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.649 HG22 HD12 ' A' ' 21' ' ' LEU . 21.6 t -140.1 126.63 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -128.16 99.94 5.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.483 HD12 ' HB2' ' A' ' 64' ' ' CYS . 11.5 mt -93.61 155.29 17.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -139.75 112.65 8.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 143.82 -132.67 5.01 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.536 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -152.2 86.32 4.46 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 120.7 0.286 . . . . 0.0 110.846 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.02 156.75 61.92 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.577 2.185 . . . . 0.0 112.261 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.81 -67.84 0.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.9 m -136.9 120.45 17.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.787 HD11 HD21 ' A' ' 62' ' ' LEU . 23.4 tp -91.5 130.87 37.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.0 131.16 36.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.498 HD23 HD11 ' A' ' 73' ' ' LEU . 6.8 tp -143.32 113.94 7.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.6 p -137.96 155.41 48.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.27 31.49 19.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.975 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.89 148.75 22.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -142.07 118.17 10.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 75.4 m 59.62 28.45 17.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.975 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 36.1 m -103.04 137.46 41.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -103.8 156.12 18.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.787 HD21 HD11 ' A' ' 52' ' ' LEU . 24.5 tp -154.64 119.01 4.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.944 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.521 HD23 ' HB3' ' A' ' 82' ' ' ALA . 98.2 mt -126.83 99.98 5.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.483 ' HB2' HD12 ' A' ' 45' ' ' LEU . 53.8 t -131.62 156.24 46.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.951 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.9 -179.86 7.6 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.54 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.714 ' HB2' HD12 ' A' ' 135' ' ' LEU . 18.9 Cg_endo -58.1 122.35 11.56 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.641 2.228 . . . . 0.0 112.297 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.488 HG22 ' N ' ' A' ' 68' ' ' SER . 13.5 p -64.78 159.07 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.488 ' N ' HG22 ' A' ' 67' ' ' VAL . 3.5 m -74.04 -51.93 14.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.1 p -100.16 -79.1 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.002 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.2 m -163.89 -179.93 6.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.516 HG22 ' HB3' ' A' ' 52' ' ' LEU . 15.1 t -130.67 142.05 44.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -116.94 164.04 15.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.498 HD11 HD23 ' A' ' 54' ' ' LEU . 2.6 tp -152.02 138.4 18.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.769 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -155.99 135.12 12.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.077 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.25 39.97 18.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.994 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.428 ' HB3' HG21 ' A' ' 96' ' ' THR . 3.8 m -108.65 135.83 49.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.7 t -148.51 137.44 21.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 58.72 29.04 18.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.992 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.407 ' HB2' HG23 ' A' ' 96' ' ' THR . 31.7 m -106.72 150.44 26.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.39 90.07 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.074 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.412 HD13 HD13 ' A' ' 73' ' ' LEU . 4.3 tt -100.96 123.97 45.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.587 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -130.17 110.07 11.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.647 HG11 HD22 ' A' ' 52' ' ' LEU . 3.7 m -160.48 128.93 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.413 ' HB3' ' HB3' ' A' ' 66' ' ' PRO . . . -74.71 133.18 42.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.43 ' HB3' HG12 ' A' ' 67' ' ' VAL . 31.7 p -153.3 165.43 35.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -81.12 -36.43 30.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -133.26 150.51 51.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.833 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.848 HD13 HD13 ' A' ' 100' ' ' LEU . 15.8 tp -125.59 148.65 48.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -140.43 119.19 12.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.613 ' HB ' HG12 ' A' ' 108' ' ' VAL . 27.3 mt -125.76 156.27 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.442 ' N ' HG22 ' A' ' 90' ' ' ILE . 0.8 OUTLIER -166.21 135.52 3.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.4 m 55.21 28.54 11.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.192 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.435 HG23 ' OG1' ' A' ' 96' ' ' THR . 90.2 m -97.14 138.15 35.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.781 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -147.26 128.75 14.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.953 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.06 40.07 22.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.968 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.435 ' OG1' HG23 ' A' ' 93' ' ' THR . 3.3 m -112.15 102.21 10.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.956 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -66.06 127.23 31.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.807 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.814 HG22 HD22 ' A' ' 100' ' ' LEU . 6.5 mt -129.05 124.84 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.154 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.504 ' CG ' ' HB3' ' A' ' 117' ' ' ALA . 12.5 m-85 -113.65 89.95 3.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.71 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.848 HD13 HD13 ' A' ' 88' ' ' LEU . 2.6 pt? -131.1 178.9 6.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.075 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -138.81 89.98 2.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.723 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.462 HG11 ' HB2' ' A' ' 106' ' ' ALA . 15.1 m -74.0 136.12 26.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.174 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 52.8 p -95.35 -31.4 13.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.86 -78.52 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.1 -179.98 8.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.462 ' HB2' HG11 ' A' ' 102' ' ' VAL . . . -141.27 144.91 34.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.999 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.423 ' O ' HG13 ' A' ' 108' ' ' VAL . 23.4 mt -110.88 145.44 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.203 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.613 HG12 ' HB ' ' A' ' 90' ' ' ILE . 4.8 m -155.91 126.97 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -141.01 143.61 34.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 59.9 30.7 20.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 19.6 m -108.47 160.52 15.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.76 124.53 3.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.94 30.64 42.16 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.528 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 26.6 mm -81.97 133.24 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.792 0.329 . . . . 0.0 111.192 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -109.29 116.35 31.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -99.0 107.44 19.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.504 ' HB3' ' CG ' ' A' ' 99' ' ' PHE . . . -110.21 152.11 42.98 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.135 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.72 152.54 58.91 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.655 2.237 . . . . 0.0 112.344 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -94.96 99.97 11.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.803 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 4.3 p -114.94 30.83 7.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.981 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.494 ' CZ2' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -79.43 81.85 5.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.765 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 39.2 m -82.3 162.24 22.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.449 ' CD2' ' HD2' ' A' ' 124' ' ' PRO . 0.2 OUTLIER -151.74 148.73 22.36 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.777 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.449 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 77.0 Cg_exo -50.12 -27.8 18.01 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.55 2.166 . . . . 0.0 112.31 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -135.34 62.25 1.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.686 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -103.88 -21.68 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.36 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -52.98 -30.82 37.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.057 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -77.3 -31.07 54.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.827 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.74 -55.61 21.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -64.81 -41.13 96.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -60.11 -42.4 94.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 73.2 m -60.91 -50.94 71.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 91.9 p -69.05 -40.39 78.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 94.96 30.9 8.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.504 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.714 HD12 ' HB2' ' A' ' 66' ' ' PRO . 30.1 mt -98.99 175.04 6.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -115.16 150.72 35.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.8 -35.47 9.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 9.3 t -69.07 -52.32 29.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 15.5 mmtt -59.81 124.44 20.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.807 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -142.02 139.03 32.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.982 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -135.23 25.71 3.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.0 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 13.6 p-90 -63.85 -29.91 71.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.959 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -62.06 -50.7 70.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -82.68 138.75 34.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 21.5 t -146.41 132.3 13.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.118 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -77.48 138.34 39.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -125.35 169.38 12.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -136.31 -47.12 0.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.947 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -73.97 75.72 1.68 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . 0.541 ' NE1' ' HB3' ' A' ' 152' ' ' ALA . 17.6 t90 -131.7 129.79 41.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.39 31.74 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.541 ' HB3' ' NE1' ' A' ' 150' ' ' TRP . . . -85.62 -48.45 8.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.033 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 60.39 32.19 20.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -175.69 -40.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 1.7 mtp -116.12 155.41 28.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -58.26 -171.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.195 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 75.7 m -105.0 90.96 3.97 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.71 62.5 2.3 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.534 2.156 . . . . 0.0 112.327 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -112.49 -43.42 3.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.818 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 57.8 p-90 -109.42 173.48 6.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.73 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -151.01 164.69 35.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 23.8 mt -107.06 125.47 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.031 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.422 HD23 ' CG ' ' A' ' 168' ' ' ARG . 6.6 tp -60.41 135.51 91.57 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.15 -169.81 0.43 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.503 2.135 . . . . 0.0 112.261 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -91.46 -31.62 15.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -65.97 -30.65 71.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -90.38 -28.13 18.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.013 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . 0.422 ' CG ' HD23 ' A' ' 163' ' ' LEU . 0.6 OUTLIER -56.96 -30.77 64.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.959 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -71.23 87.25 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 5.9 mt -124.45 139.17 51.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.053 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -96.2 166.41 11.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -119.47 40.74 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.06 39.82 1.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 2.7 m -89.8 52.52 2.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -140.68 104.44 0.39 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.465 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.47 139.33 48.88 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.508 2.139 . . . . 0.0 112.293 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.26 122.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 20.0 p -154.22 135.98 14.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.5 -179.965 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.35 -66.58 1.03 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.864 0.364 . . . . 0.0 110.956 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.7 p -60.31 -51.14 70.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.34 -136.51 13.25 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.533 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.3 t -162.67 151.17 14.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.836 0.351 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -63.67 -52.53 60.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.27 66.59 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.546 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.3 t -85.04 113.87 21.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -106.02 -179.47 3.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.553 ' O ' HG12 ' A' ' 10' ' ' VAL . 14.2 t -140.53 35.18 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.069 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -153.3 102.49 2.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.31 -80.16 1.31 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.495 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -143.74 142.77 31.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.886 0.374 . . . . 0.0 110.821 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.6 p -166.19 170.28 13.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 61.73 33.04 18.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.71 HD13 HD21 ' A' ' 21' ' ' LEU . 13.4 mt -114.13 156.82 23.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -153.6 137.97 16.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.06 36.78 21.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -130.17 170.83 13.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.57 120.19 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.71 HD21 HD13 ' A' ' 16' ' ' LEU . 10.8 mt -100.61 151.08 22.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -144.25 149.4 36.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.472 ' HB2' HD22 ' A' ' 45' ' ' LEU . 12.5 mttp -154.29 161.7 41.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -135.68 176.49 8.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.07 -31.0 71.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.143 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -68.79 -33.68 74.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -85.74 -39.37 17.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.542 HD13 ' HG3' ' A' ' 49' ' ' PRO . 25.5 mt -74.61 -66.18 0.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.956 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 60.57 42.67 13.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 61.85 74.66 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.93 176.99 8.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -92.77 122.27 35.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.691 ' HB ' HD12 ' A' ' 52' ' ' LEU . 21.6 t -93.71 119.01 40.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.8 tp -116.88 104.66 11.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.406 HD12 HD11 ' A' ' 62' ' ' LEU . 55.7 mt -122.38 110.42 15.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.2 t -141.45 169.29 17.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 60.31 39.71 18.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.43 HD23 ' HB2' ' A' ' 16' ' ' LEU . 1.3 mt -118.35 149.19 41.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 m -146.81 121.41 9.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.836 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 60.64 34.46 20.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.7 t -112.95 118.1 33.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.9 m -75.81 140.34 42.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.733 ' HB ' HD12 ' A' ' 62' ' ' LEU . 21.5 t -131.59 122.47 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -127.11 99.99 5.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.472 HD22 ' HB2' ' A' ' 23' ' ' LYS . 46.8 mt -99.09 162.79 12.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -145.64 140.14 27.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.82 -138.54 11.84 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -147.33 79.15 9.87 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.683 0.278 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.542 ' HG3' HD13 ' A' ' 28' ' ' LEU . 50.1 Cg_exo -53.66 -179.66 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.59 2.194 . . . . 0.0 112.294 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -100.67 -46.54 5.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -155.31 99.96 2.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.691 HD12 ' HB ' ' A' ' 33' ' ' VAL . 13.2 tp -71.66 144.12 49.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -148.46 134.97 19.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.58 HD22 ' CD1' ' A' ' 81' ' ' LEU . 4.3 tp -142.06 123.02 14.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.0 p -145.85 158.57 43.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm 59.77 30.85 20.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.86 161.39 13.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.057 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -165.68 121.79 1.35 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.6 m 60.27 31.36 20.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.988 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 34.1 m -111.4 149.36 31.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -113.3 124.28 52.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.733 HD12 ' HB ' ' A' ' 43' ' ' VAL . 6.8 tp -114.3 126.56 55.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.539 HD23 ' HB3' ' A' ' 82' ' ' ALA . 2.4 mt -134.95 103.64 5.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 52.7 t -134.9 156.26 49.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.006 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.401 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -65.57 -179.84 9.02 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.414 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -60.69 121.73 10.17 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.607 2.205 . . . . 0.0 112.237 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.633 HG12 ' HB3' ' A' ' 85' ' ' CYS . 11.2 p -70.54 158.56 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.487 ' N ' HG22 ' A' ' 67' ' ' VAL . 0.9 OUTLIER -63.28 -54.73 32.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 p -106.57 -75.25 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.2 m -161.97 -179.97 7.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.88 HG21 HG11 ' A' ' 83' ' ' VAL . 21.7 t -115.68 157.45 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.464 ' N ' HG12 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -120.35 139.53 52.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.602 HD23 HG23 ' A' ' 90' ' ' ILE . 2.8 tp -138.68 123.97 19.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -149.28 138.67 21.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 61.9 37.37 15.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 28.8 m -106.52 140.3 39.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.0 t -152.59 134.67 14.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.973 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 60.49 38.12 19.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 42.1 m -116.5 167.47 11.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 20.3 t -132.66 90.72 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.054 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.58 ' CD1' HD22 ' A' ' 54' ' ' LEU . 1.0 OUTLIER -86.58 123.89 32.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.539 ' HB3' HD23 ' A' ' 63' ' ' LEU . . . -127.13 98.38 5.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.88 HG11 HG21 ' A' ' 71' ' ' VAL . 11.7 p -157.86 124.64 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.95 147.18 43.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.633 ' HB3' HG12 ' A' ' 67' ' ' VAL . 23.0 p -169.38 -179.94 3.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.476 ' HG3' HD21 ' A' ' 135' ' ' LEU . 36.1 mt-30 -94.81 -31.7 13.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.15 161.63 36.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.826 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.536 HD22 HD11 ' A' ' 100' ' ' LEU . 20.7 tp -143.01 151.0 40.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.41 ' HD2' ' CE1' ' A' ' 72' ' ' PHE . 3.5 mtt180 -140.59 122.8 15.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.602 HG23 HD23 ' A' ' 73' ' ' LEU . 4.7 mt -127.57 158.31 39.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.03 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.488 ' N ' HG22 ' A' ' 90' ' ' ILE . 58.9 t-80 -168.61 138.92 2.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 59.32 30.41 20.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.557 ' O ' HD11 ' A' ' 114' ' ' ILE . 49.0 m -104.95 135.11 46.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.4 ttpp -143.12 131.21 21.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.2 t0 59.84 39.4 20.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 23.2 m -111.05 142.05 43.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.5 mtm-85 -99.91 136.64 39.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.026 HG22 HD22 ' A' ' 100' ' ' LEU . 19.9 mt -137.94 108.95 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.066 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -106.87 95.8 5.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.935 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 1.026 HD22 HG22 ' A' ' 98' ' ' ILE . 2.3 pt? -141.43 170.78 15.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -123.34 90.0 3.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.849 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 8.7 m -76.83 120.78 27.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.178 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 28.3 p -77.57 -31.24 52.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.2 m -101.7 -75.25 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.2 165.38 2.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -110.0 179.26 4.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 23.9 mt -148.64 139.15 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.4 m -137.7 146.52 27.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -149.18 129.27 13.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.44 33.13 20.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 70.9 m -102.35 170.13 8.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -170.0 122.29 0.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.65 32.93 39.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.518 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.557 HD11 ' O ' ' A' ' 93' ' ' THR . 27.0 mm -79.84 153.71 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.819 0.342 . . . . 0.0 111.072 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.438 ' CD ' HD12 ' A' ' 163' ' ' LEU . 3.3 mm100 -120.84 115.08 22.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -102.71 123.79 47.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.471 ' HB1' ' HD2' ' A' ' 118' ' ' PRO . . . -142.08 158.61 61.3 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.031 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.471 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 55.6 Cg_endo -70.09 164.19 35.78 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.616 2.211 . . . . 0.0 112.295 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -68.16 147.73 51.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 21.9 p -148.48 90.93 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -175.66 117.81 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.403 ' O ' ' CG ' ' A' ' 123' ' ' TYR . 3.7 m -130.86 177.29 7.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.022 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.403 ' CG ' ' O ' ' A' ' 122' ' ' SER . 3.6 m-85 -170.92 165.33 4.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.811 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -47.5 -45.82 22.07 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.676 2.25 . . . . 0.0 112.451 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -118.55 72.84 0.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.855 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 8.5 tp -93.1 -29.54 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.146 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.07 -40.46 85.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -31.96 69.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.59 -65.52 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.434 ' CD2' ' HD2' ' A' ' 137' ' ' ARG . 76.5 m-85 -59.21 -33.03 70.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -71.37 -34.95 70.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.3 m -69.15 -31.4 70.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 45.5 p -84.63 -45.38 12.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 108.49 31.71 3.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.476 HD21 ' HG3' ' A' ' 86' ' ' GLN . 5.7 mt -100.21 170.61 8.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 0.0 110.918 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.92 146.52 46.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.434 ' HD2' ' CD2' ' A' ' 130' ' ' PHE . 9.0 mtp180 -115.15 31.35 6.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 14.0 m -127.09 19.59 7.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -146.8 101.05 3.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.25 142.36 32.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.985 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -155.37 39.58 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' TRP . . . . . 0.475 ' CZ3' HG23 ' A' ' 162' ' ' ILE . 33.9 p-90 -66.85 -32.49 73.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -63.89 -47.02 82.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.26 119.61 8.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.957 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 6.2 m -152.24 148.22 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -97.78 169.94 9.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -137.64 163.39 31.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -147.58 42.6 1.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -158.84 -45.64 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 57.0 t-105 -111.02 142.56 42.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.48 HD23 ' HB2' ' A' ' 153' ' ' ARG . 0.2 OUTLIER -66.14 134.51 52.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -108.29 45.88 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . 0.48 ' HB2' HD23 ' A' ' 151' ' ' LEU . 4.7 ttp180 -113.11 94.2 4.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.6 35.95 19.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -156.79 126.72 6.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -67.97 119.55 12.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.096 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.52 111.46 9.63 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.41 -15.79 47.56 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.483 2.122 . . . . 0.0 112.504 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -50.06 -45.4 52.36 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.264 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -124.45 169.54 11.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.049 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 1.6 p -145.88 179.97 7.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . 0.475 HG23 ' CZ3' ' A' ' 142' ' ' TRP . 24.3 mt -113.41 138.29 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.438 HD12 ' CD ' ' A' ' 115' ' ' GLN . 3.4 tp -68.03 128.56 93.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.25 171.43 0.39 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.461 2.108 . . . . 0.0 112.249 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -101.52 28.03 5.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -119.74 -37.81 3.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -96.39 37.89 1.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.974 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.38 -38.12 16.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -90.02 88.52 7.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.807 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 2.6 mt -98.13 -28.24 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.266 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 64.35 172.79 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' TRP . . . . . 0.448 ' CZ2' HD21 ' A' ' 63' ' ' LEU . 82.3 m95 -137.65 82.45 1.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -176.44 -60.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 3.5 m 60.68 -179.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.964 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -72.08 114.27 4.92 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.51 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -51.08 -30.98 33.54 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.425 2.083 . . . . 0.0 112.335 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.3 30.07 3.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 20.7 t 58.63 -169.71 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.956 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.42 -1.211 . . . . 0.0 112.515 -179.973 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -149.6 177.43 9.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 p -169.83 168.02 9.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.14 173.32 43.44 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.505 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.6 p -171.92 -43.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.351 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -101.85 -57.18 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.92 -34.84 0.22 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.413 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.1 t -160.0 177.1 11.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.349 . . . . 0.0 110.95 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -159.55 38.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.3 81.22 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.209 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.7 t -112.64 -60.27 1.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.37 -140.98 30.4 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.535 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -132.52 148.25 52.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.818 0.342 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.3 m -164.5 169.89 16.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 29.4 m120 60.75 39.9 16.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.607 HD22 ' NE2' ' A' ' 19' ' ' GLN . 69.1 mt -125.09 151.77 45.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -149.1 127.23 12.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.71 34.13 20.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.607 ' NE2' HD22 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -108.2 174.91 5.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.915 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.3 t -127.07 126.19 67.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.052 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.703 HD12 HG22 ' A' ' 43' ' ' VAL . 13.5 mt -120.21 142.93 48.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -142.71 140.85 31.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -141.22 146.72 37.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.641 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -115.25 178.79 4.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.77 -31.37 72.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.3 -34.26 67.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -76.76 -46.49 24.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.702 HD23 ' HD2' ' A' ' 31' ' ' ARG . 1.1 mt -72.15 -73.76 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.2 t60 61.29 51.72 4.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.416 ' HA ' ' HA ' ' A' ' 49' ' ' PRO . 42.3 mt-30 59.63 74.12 0.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.979 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.702 ' HD2' HD23 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -132.52 167.23 20.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.884 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.58 103.12 15.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.851 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.599 HG22 HH11 ' A' ' 31' ' ' ARG . 16.9 t -76.94 120.25 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.2 tp -111.91 134.44 53.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.543 ' HB2' HD12 ' A' ' 54' ' ' LEU . 14.0 mt -141.67 113.97 8.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.1 t -145.97 162.57 37.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 60.04 33.21 21.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.455 HD12 ' HB3' ' A' ' 35' ' ' LEU . 40.5 mt -110.77 141.52 43.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.3 m -150.68 123.61 8.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 60.52 37.35 19.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 49.1 t -117.2 141.85 47.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.0 m -94.47 131.52 40.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.703 HG22 HD12 ' A' ' 21' ' ' LEU . 25.6 t -127.27 128.21 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.75 ' O ' HD23 ' A' ' 45' ' ' LEU . 18.6 mtp85 -128.26 144.32 51.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.751 HD12 ' HB2' ' A' ' 64' ' ' CYS . 30.0 mt -142.53 150.68 40.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -143.71 102.12 3.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 163.21 -132.78 2.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.445 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -160.73 83.66 1.99 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.714 0.292 . . . . 0.0 110.844 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.519 ' HB3' HD22 ' A' ' 28' ' ' LEU . 58.6 Cg_endo -71.89 175.08 10.22 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.57 2.18 . . . . 0.0 112.304 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.75 -67.64 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.55 123.37 33.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.626 HD23 HG11 ' A' ' 83' ' ' VAL . 34.5 tp -99.14 131.83 44.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -143.21 137.17 28.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.958 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.543 HD12 ' HB2' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -139.37 118.01 12.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.6 p -136.37 159.66 41.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.028 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.65 37.51 25.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.014 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -108.48 135.14 50.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.131 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -135.79 121.4 19.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.3 m 60.7 27.93 17.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.963 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 61.0 m -103.16 169.25 8.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -135.63 146.09 47.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.508 HD13 ' CD1' ' A' ' 35' ' ' LEU . 10.5 tp -142.87 117.15 9.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.012 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.1 mt -120.54 101.27 7.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.797 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.751 ' HB2' HD12 ' A' ' 45' ' ' LEU . 38.4 t -129.84 157.13 43.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.026 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.629 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -66.9 -179.8 11.96 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.444 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.43 ' HG3' ' CD1' ' A' ' 130' ' ' PHE . 18.4 Cg_endo -58.93 117.52 4.25 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.583 2.189 . . . . 0.0 112.247 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.497 HG22 ' N ' ' A' ' 68' ' ' SER . 12.8 p -58.66 158.89 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.2 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.497 ' N ' HG22 ' A' ' 67' ' ' VAL . 23.1 t -70.93 -52.17 21.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.904 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.42 -77.93 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.081 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.56 -179.94 8.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.983 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.472 HG21 ' CG1' ' A' ' 83' ' ' VAL . 15.0 t -124.77 159.8 30.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.085 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.471 ' N ' HG12 ' A' ' 71' ' ' VAL . 37.4 m-85 -130.73 156.44 44.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.511 HD21 HG21 ' A' ' 96' ' ' THR . 2.2 tp -154.8 109.53 3.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -139.86 143.43 36.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.047 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.96 34.73 13.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 85.8 m -113.18 153.34 28.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.8 m -162.69 139.33 7.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.63 29.21 18.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 56.3 m -105.55 163.78 12.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -130.99 90.07 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.05 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.405 HD21 HG11 ' A' ' 71' ' ' VAL . 3.8 tp -83.11 143.58 30.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -139.65 98.28 3.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 65' ' ' GLY . 10.3 p -167.72 136.89 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.32 142.36 27.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.03 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.405 ' SG ' HD12 ' A' ' 100' ' ' LEU . 27.6 p -154.84 -179.89 8.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.952 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -95.76 -34.14 12.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -139.58 133.15 30.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.847 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.716 HD13 HD13 ' A' ' 100' ' ' LEU . 16.1 tp -115.45 133.73 55.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.969 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.49 121.03 32.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.435 HD12 HG12 ' A' ' 108' ' ' VAL . 18.3 mt -120.42 153.74 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.051 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.438 ' CD2' ' HB3' ' A' ' 109' ' ' GLU . 19.1 m80 -159.96 130.38 5.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.1 m 58.25 32.23 21.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.109 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.587 ' O ' HD11 ' A' ' 114' ' ' ILE . 12.6 m -107.43 143.3 35.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.824 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.01 143.54 19.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.7 t70 59.1 38.32 23.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.511 HG21 HD21 ' A' ' 73' ' ' LEU . 45.3 m -121.09 114.15 21.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 27.5 mtt85 -80.98 111.6 17.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.945 HG22 HD22 ' A' ' 100' ' ' LEU . 26.2 mt -111.03 115.49 50.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.251 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.732 ' CD2' ' HB3' ' A' ' 117' ' ' ALA . 13.4 m-85 -107.13 95.05 5.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.79 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.945 HD22 HG22 ' A' ' 98' ' ' ILE . 2.4 pt? -134.81 175.82 9.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -126.66 90.07 3.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.1 m -80.51 131.56 33.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.159 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 9.5 p -98.31 -30.71 12.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.03 -70.17 0.7 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.21 174.39 1.04 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -131.38 153.65 49.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.069 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 20.5 mt -131.3 146.8 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.178 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.435 HG12 HD12 ' A' ' 90' ' ' ILE . 5.5 m -144.73 116.15 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.103 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.438 ' HB3' ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -115.98 125.29 52.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 59.9 35.21 21.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 59.9 m -105.63 152.99 22.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.955 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 40.0 m -159.27 130.64 6.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.0 34.51 30.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.538 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.587 HD11 ' O ' ' A' ' 93' ' ' THR . 26.5 mm -93.21 156.87 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.796 0.332 . . . . 0.0 111.03 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.447 ' N ' HG22 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -123.9 136.29 54.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -125.98 111.96 15.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.845 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.732 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . . . -131.66 153.85 81.64 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.76 169.73 0.53 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.524 2.15 . . . . 0.0 112.257 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.668 ' O ' HG23 ' A' ' 120' ' ' THR . 75.3 t80 -98.9 144.29 28.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.668 HG23 ' O ' ' A' ' 119' ' ' TYR . 1.2 p -165.67 118.87 1.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.585 ' O ' HD12 ' A' ' 126' ' ' ILE . 0.5 OUTLIER -175.19 139.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.87 -170.14 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.445 ' O ' HG22 ' A' ' 126' ' ' ILE . 0.1 OUTLIER 178.05 -52.95 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.953 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.416 ' HD3' ' CB ' ' A' ' 123' ' ' TYR . 47.8 Cg_exo -56.13 -26.68 61.42 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.371 2.047 . . . . 0.0 112.421 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -138.38 48.19 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.142 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.585 HD12 ' O ' ' A' ' 121' ' ' TRP . 18.1 tt -110.14 -32.05 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.072 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -58.58 -51.67 68.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.84 -31.08 71.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.41 -47.51 83.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.43 ' CD1' ' HG3' ' A' ' 66' ' ' PRO . 7.2 m-85 -67.99 -32.61 73.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.97 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -66.04 -35.11 79.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -46.79 88.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.7 p -81.2 -36.26 30.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 99.79 28.13 7.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.501 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 96.2 mt -89.41 161.06 16.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.03 144.95 39.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 63.1 mtm180 -98.24 29.06 3.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.5 m -121.93 -41.78 2.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.26 141.67 41.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.99 124.2 5.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.823 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.95 40.99 3.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' TRP . . . . . . . . . . . . . 43.4 p-90 -69.03 -28.58 66.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.961 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -64.13 -45.69 87.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -67.38 132.55 47.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 21.4 t -146.8 140.18 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -95.91 111.27 23.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -92.41 162.0 14.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -145.15 30.3 1.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -154.86 81.47 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -81.18 114.52 20.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.91 138.87 41.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.796 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -69.11 120.1 14.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.039 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -163.45 -50.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -155.39 -60.56 0.11 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 4.6 tpp -177.24 -40.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -71.92 -179.23 2.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 1.3 m -110.86 97.72 35.03 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.818 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.47 94.02 0.37 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.445 2.097 . . . . 0.0 112.359 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -162.14 -62.95 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.584 ' HZ3' HD11 ' A' ' 162' ' ' ILE . 35.0 p-90 -96.87 151.09 20.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 45.0 t -140.24 178.76 7.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . 0.584 HD11 ' HZ3' ' A' ' 160' ' ' TRP . 34.7 mm -112.2 158.55 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.48 ' N ' HG22 ' A' ' 162' ' ' ILE . 6.2 tp -102.97 125.07 36.39 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.16 154.89 16.89 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.406 2.07 . . . . 0.0 112.341 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.69 -31.49 70.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -76.41 -22.55 54.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.414 ' O ' HD21 ' A' ' 163' ' ' LEU . 5.1 mt-10 -95.91 29.74 2.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 111.064 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 26.5 mtp180 -107.92 29.31 7.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.021 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -113.29 102.12 10.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 2.1 mt -122.87 117.3 51.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.154 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -59.84 94.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -64.28 113.57 3.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.953 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 59.56 69.62 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.63 161.12 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.795 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -169.97 -92.37 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.5 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.4 -46.2 1.03 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.534 2.156 . . . . 0.0 112.29 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 6.1 m -164.2 121.09 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.57 31.33 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.542 179.98 . . . . . . . . 0 0 . 1 stop_ save_